SCOPUS 정보 검색 플랫폼

Volumn 107, Issue 11, 2007, Pages 5101-5132

Computational chemistry of polyatomic reaction kinetics and dynamics: The quest for an accurate CH5 potential energy surface

(3) Albu, Titus V a Espinosa García, Joaquín b Truhlar, Donald G c

a TENNESSEE TECHNOLOGICAL UNIVERSITY (United States)

b UNIVERSITY OF EXTREMADURA (Spain)

c University of Minnesota (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; INTERPOLATION; POTENTIAL ENERGY; REACTION KINETICS;

COMPUTATIONAL CHEMISTRY; INVERSION EXCHANGE REACTION; POLYATOMIC REACTION KINETICS;

HYDROCARBONS;

EID: 36849002362 PISSN: 00092665 EISSN: None Source Type: Journal
DOI: 10.1021/cr078026x Document Type: Review

Times cited : (58)

References (441)

1
- 0000653831
- Truhlar, D. G.; Wyatt, R. E. Adv. Chem. Phys. 1977, 36, 141.
- (1977) Adv. Chem. Phys , vol.36 , pp. 141
- Truhlar, D.G.¹ Wyatt, R.E.²

2
- 0141564755
- Mielke, S. L.; Peterson, K. A.; Schwenke, D. W.; Garrett, B. C.; Truhlar, D. G.; Michael, J. V.; Su, M.-C.; Sutherland, J. W. Phys. Rev. Lett. 2003, 91, 63201.
- (2003) Phys. Rev. Lett , vol.91 , pp. 63201
- Mielke, S.L.¹ Peterson, K.A.² Schwenke, D.W.³ Garrett, B.C.⁴ Truhlar, D.G.⁵ Michael, J.V.⁶ Su, M.-C.⁷ Sutherland, J.W.⁸

3
- 4143054706
- Truhlar, D. G.; Steckler, R.; Gordon, M. S. Chem. Rev. 1987, 87, 217.
- (1987) Chem. Rev , vol.87 , pp. 217
- Truhlar, D.G.¹ Steckler, R.² Gordon, M.S.³

4
- 36849068737
- Fernandez-Ramos, A.; Miller, J. A.; Klippenstein, S. J.; Truhlar, D. G. Chem. Rev. 2006, 106, 4519.
- (2006) Chem. Rev , vol.106 , pp. 4519
- Fernandez-Ramos, A.¹ Miller, J.A.² Klippenstein, S.J.³ Truhlar, D.G.⁴

5
- 0001049015
- Liu, Y. P.; Lu, D. H.; Gonzalez-Lafont, A.; Truhlar, D. G.; Garrett, B. C. J. Am. Chem. Soc. 1993, 115, 7806.
- (1993) J. Am. Chem. Soc , vol.115 , pp. 7806
- Liu, Y.P.¹ Lu, D.H.² Gonzalez-Lafont, A.³ Truhlar, D.G.⁴ Garrett, B.C.⁵

6
- 84973654655
- Born, M.; Oppenheimer, R. Ann. Phys. 1927, 84, 457.
- (1927) Ann. Phys , vol.84 , pp. 457
- Born, M.¹ Oppenheimer, R.²

7
- 0003895515
- 4th ed, Oxford University Press: New York
- Atkins, P. W.; Friedman, R. S. Molecular Quantum Mechanics, 4th ed.; Oxford University Press: New York, 2005.
- (2005) Molecular Quantum Mechanics
- Atkins, P.W.¹ Friedman, R.S.²

8
- 34250557159
- Cahn, R. S.; Ingold, C. K.; Prelog, V. Experientia 1956, 12, 81.
- (1956) Experientia , vol.12 , pp. 81
- Cahn, R.S.¹ Ingold, C.K.² Prelog, V.³

9
- 84981828672
- Cahn, R. S.; Ingold, C.; Prelog, V. Angew. Chem., Int. Ed. Engl. 1966, 5, 385.
- (1966) Angew. Chem., Int. Ed. Engl , vol.5 , pp. 385
- Cahn, R.S.¹ Ingold, C.² Prelog, V.³

10
- 3142762392
- Wolfgang, R. Acc. Chem. Res. 1969, 2, 248.
- (1969) Acc. Chem. Res , vol.2 , pp. 248
- Wolfgang, R.¹

11
- 0000603807
- Herschbach, D. R. Adv. Chem. Fhys. 1966, 10, 319.
- (1966) Adv. Chem. Fhys , vol.10 , pp. 319
- Herschbach, D.R.¹

12
- 0032533122
- Schmatz, S.; Clary, D. C. J. Chem. Phys. 1998, 109, 8200.
- (1998) J. Chem. Phys , vol.109 , pp. 8200
- Schmatz, S.¹ Clary, D.C.²

13
- 32644452624
- Bogdanov, B.; McMahon, T. B. J. Phys. Chem. A 2006, 110, 1350.
- (2006) J. Phys. Chem. A , vol.110 , pp. 1350
- Bogdanov, B.¹ McMahon, T.B.²

14
- 0001403905
- Chattopadhyay, A.; Tasaki, S.; Bersohn, R.; Kawasaki, M. J. Chem. Phys. 1991, 95, 1033.
- (1991) J. Chem. Phys , vol.95 , pp. 1033
- Chattopadhyay, A.¹ Tasaki, S.² Bersohn, R.³ Kawasaki, M.⁴

15
- 33947292558
- Rowland, F. S.; Palino, G. F. J. Phys. Chem. 1971, 75, 1299.
- (1971) J. Phys. Chem , vol.75 , pp. 1299
- Rowland, F.S.¹ Palino, G.F.²

16
- 36849022415
- Weston, R. E., Jr.; Ehrenson, S. Chem. Phys. Lett. 1971, 9, 351.
- (1971) Chem. Phys. Lett , vol.9 , pp. 351
- Weston Jr., R.E.¹ Ehrenson, S.²

17
- 33947091829
- Morokuma, K.; Davis, R. E. J. Am. Chem. Soc. 1972, 94, 1060.
- (1972) J. Am. Chem. Soc , vol.94 , pp. 1060
- Morokuma, K.¹ Davis, R.E.²

18
- 23644444138
- Minyaev, R. M.; Gribanova, T. N.; Minkin, V. I.; Starikov, A. G.; Hoffmann, R. J. Org. Chem. 2005, 70, 6693.
- (2005) J. Org. Chem , vol.70 , pp. 6693
- Minyaev, R.M.¹ Gribanova, T.N.² Minkin, V.I.³ Starikov, A.G.⁴ Hoffmann, R.⁵

19
- 0001647240
- Berlie, M. R.; LeRoy, D. J. Can. J. Chem. 1954, 32, 650.
- (1954) Can. J. Chem , vol.32 , pp. 650
- Berlie, M.R.¹ LeRoy, D.J.²

20
- 7044250904
- Klein, R.; McNesby, J. R.; Scheer, M. D.; Schoen, L. J. J. Chem. Phys. 1959, 30, 58.
- (1959) J. Chem. Phys , vol.30 , pp. 58
- Klein, R.¹ McNesby, J.R.² Scheer, M.D.³ Schoen, L.J.⁴

21
- 0011453359
- Fenimore, C. P.; Jones, G. W. J. Phys. Chem. 1961, 65, 2200.
- (1961) J. Phys. Chem , vol.65 , pp. 2200
- Fenimore, C.P.¹ Jones, G.W.²

22
- 0001314887
- Biordi, J. C.; Papp, J. F.; Lazzara, C. P. J. Chem. Phys. 1974, 61, 741.
- (1974) J. Chem. Phys , vol.61 , pp. 741
- Biordi, J.C.¹ Papp, J.F.² Lazzara, C.P.³

23
- 15544375364
- Biordi, J. C.; Lazzara, C. P.; Papp, J. F. Symp. Int. Comhust. Proc., 15th, 917 1975.
- (1975) Symp. Int. Comhust. Proc , vol.15 th , pp. 917
- Biordi, J.C.¹ Lazzara, C.P.² Papp, J.F.³

24
- 0016920118
- Biordi, J. C.; Lazzara, C. P.; Papp, J. F. Combust. Flame 1976, 26, 57.
- (1976) Combust. Flame , vol.26 , pp. 57
- Biordi, J.C.¹ Lazzara, C.P.² Papp, J.F.³

25
- 33748635285
- Jamieson, J. W. S.; Brown, G. R. Can. J. Chem. 1964, 42, 1638.
- (1964) Can. J. Chem , vol.42 , pp. 1638
- Jamieson, J.W.S.¹ Brown, G.R.²

26
- 37049100675
- Sepehrad, A.; Marshall, R. M.; Purnell, H. J. Chem. Soc., Faraday Trans. 1979, 75, 835.
- (1979) Chem. Soc., Faraday Trans , vol.75 , pp. 835
- Sepehrad, A.¹ Marshall, R.M.² Purnell, H.J.³

27
- 0000929226
- Kurylo, M. J.; Timmons, R. B. J. Chem. Phys. 1969, 50, 5076.
- (1969) J. Chem. Phys , vol.50 , pp. 5076
- Kurylo, M.J.¹ Timmons, R.B.²

28
- 0000309842
- Kurylo, M. J.; Hollinden, G. A.; Timmons, R. B. J. Chem. Phys. 1970, 52, 1773.
- (1970) J. Chem. Phys , vol.52 , pp. 1773
- Kurylo, M.J.¹ Hollinden, G.A.² Timmons, R.B.³

29
- 0000323605
- Marquaire, P. M.; Dastidar, A. G.; Manthorne, K. C.; Pacey, P. D. Can. J. Chem. 1994, 72, 600.
- (1994) Can. J. Chem , vol.72 , pp. 600
- Marquaire, P.M.¹ Dastidar, A.G.² Manthorne, K.C.³ Pacey, P.D.⁴

30
- 0000099203
- Roth, P.; Just, T. Ber. Bunsen-Ges. Phys. Chem. 1975, 79, 682.
- (1975) Ber. Bunsen-Ges. Phys. Chem , vol.79 , pp. 682
- Roth, P.¹ Just, T.²

31
- 0001639235
- Rabinowitz, M. J.; Sutherland, J. W.; Patterson, P. M.; Klemm, R. B. J. Phys. Chem. 1991, 95, 674.
- (1991) J. Phys. Chem , vol.95 , pp. 674
- Rabinowitz, M.J.¹ Sutherland, J.W.² Patterson, P.M.³ Klemm, R.B.⁴

32
- 0035810485
- Bryukov, M. G.; Slagle, I. R.; Knyazev, V. D. J. Phys. Chem. A 2001, 105, 3107.
- (2001) J. Phys. Chem. A , vol.105 , pp. 3107
- Bryukov, M.G.¹ Slagle, I.R.² Knyazev, V.D.³

33
- 0035499333
- Sutherland, J. W.; Su, M. C.; Michael, J. V. Int. J. Chem. Kinet. 2001, 33, 669.
- (2001) Int. J. Chem. Kinet , vol.33 , pp. 669
- Sutherland, J.W.¹ Su, M.C.² Michael, J.V.³

34
- 37049140996
- Walker, R. W. J. Chem. Soc., Ser. A 1968, 2391.
- (1968) J. Chem. Soc., Ser. A , pp. 2391
- Walker, R.W.¹

35
- 0000705027
- Clark, T. C.; Dove, J. E. Can. J. Chem. 1973, 51, 2147.
- (1973) Can. J. Chem , vol.51 , pp. 2147
- Clark, T.C.¹ Dove, J.E.²

36
- 0017985669
- Shaw, R. J. Phys. Chem. Ref. Data 1978, 7, 1179.
- (1978) J. Phys. Chem. Ref. Data , vol.7 , pp. 1179
- Shaw, R.¹

37
- 0004168476
- Gardiner, W. C, Jr, Ed, Spriager-Verlag: New York
- Warnatz, J. In Combustion Chemistry; Gardiner, W. C., Jr., Ed.; Spriager-Verlag: New York, 1984; p 233.
- (1984) Combustion Chemistry , pp. 233
- Warnatz, J.¹

38
- 29744448914
- Tsang, W.; Hampson, R. F. J. Phys. Chem. Ref. Data 1986, 15, 1087.
- (1986) J. Phys. Chem. Ref. Data , vol.15 , pp. 1087
- Tsang, W.¹ Hampson, R.F.²

39
- 84948233518
- Baulch, D. L.; Cobos, C. J.; Cox, R. A.; Esser, C.; Frank, P.; Just, T.; Kerr, J. A.; Pilling, M. J.; Troe, J.; Walker, R. W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411.
- (1992) J. Phys. Chem. Ref. Data , vol.21 , pp. 411
- Baulch, D.L.¹ Cobos, C.J.² Cox, R.A.³ Esser, C.⁴ Frank, P.⁵ Just, T.⁶ Kerr, J.A.⁷ Pilling, M.J.⁸ Troe, J.⁹ Walker, R.W.¹⁰ Warnatz, J.¹¹

40
- 0038560390
- Gas Research Institute: Chicago, IL
- Frenklach, M.; Goldenberg, M.; Wang, H.; Bowman, C. T.; Hanson, R. K.; Smith, G. P.; Golden, D. M.; Gardiner, W. C.; Lissianski, V. GRI-Mech 1.2; Gas Research Institute: Chicago, IL, 1994.
- (1994) GRI-Mech 1.2
- Frenklach, M.¹ Goldenberg, M.² Wang, H.³ Bowman, C.T.⁴ Hanson, R.K.⁵ Smith, G.P.⁶ Golden, D.M.⁷ Gardiner, W.C.⁸ Lissianski, V.⁹

41
- 0001669479
- Kobrinsky, P. C.; Pacey, P. D. Can. J. Chem. 1974, 52, 3665.
- (1974) Can. J. Chem , vol.52 , pp. 3665
- Kobrinsky, P.C.¹ Pacey, P.D.²

42
- 0000764551
- Marshall, R. M.; Shahkar, G. J. Chem. Soc., Faraday Trans. 1981, 77, 2271.
- (1981) J. Chem. Soc., Faraday Trans , vol.77 , pp. 2271
- Marshall, R.M.¹ Shahkar, G.²

43
- 0001236842
- Möller, W.; Mozzhukhin, E.; Wagner, H. G. Ber. Bunsen-Ges. Phys. Chem. 1986, 90, 854.
- (1986) Ber. Bunsen-Ges. Phys. Chem , vol.90 , pp. 854
- Möller, W.¹ Mozzhukhin, E.² Wagner, H.G.³

44
- 0001250172
- Baeck, H. J.; Shin, K. S.; Yang, H.; Qin, Z.; Lissianski, V.; Gardiner, W. C., Jr. J. Phys. Chem. 1995, 99, 15925.
- (1995) J. Phys. Chem , vol.99 , pp. 15925
- Baeck, H.J.¹ Shin, K.S.² Yang, H.³ Qin, Z.⁴ Lissianski, V.⁵ Gardiner Jr., W.C.⁶

45
- 5244326608
- Taylor, H. S.; Rosenblum, C. J. Chem. Phys. 1938, 6, 119.
- (1938) J. Chem. Phys , vol.6 , pp. 119
- Taylor, H.S.¹ Rosenblum, C.²

46
- 17444412863
- Anderson, R. D.; Taylor, H. A. J. Phys. Chem. 1952, 56, 498.
- (1952) J. Phys. Chem , vol.56 , pp. 498
- Anderson, R.D.¹ Taylor, H.A.²

47
- 0002814944
- Majury, T. G.; Steacie, E. W. R. Can. J. Chem. 1952, 30, 800.
- (1952) Can. J. Chem , vol.30 , pp. 800
- Majury, T.G.¹ Steacie, E.W.R.²

48
- 0002825144
- Davison, S.; Burton, M. J. Am. Chem. Soc. 1952, 74, 2307.
- (1952) J. Am. Chem. Soc , vol.74 , pp. 2307
- Davison, S.¹ Burton, M.²

49
- 36849117060
- Whittle, E.; Steacie, E. W. R. J. Chem. Phys. 1953, 21, 993.
- (1953) J. Chem. Phys , vol.21 , pp. 993
- Whittle, E.¹ Steacie, E.W.R.²

50
- 37049156033
- Majury, T. G.; Steacie, E. W. R. Discuss. Faraday Soc. 1953, 45.
- (1953) Discuss. Faraday Soc , vol.45
- Majury, T.G.¹ Steacie, E.W.R.²

51
- 84943837078
- Wijnen, M. H. J.; Steacie, E. W. R. Discuss. Faraday Soc. 1953, 118.
- (1953) Discuss. Faraday Soc , pp. 118
- Wijnen, M.H.J.¹ Steacie, E.W.R.²

52
- 0000700977
- Gesser, H.; Steacie, E. W. R. Can. J. Chem. 1956, 34, 113.
- (1956) Can. J. Chem , vol.34 , pp. 113
- Gesser, H.¹ Steacie, E.W.R.²

53
- 0000501182
- Shapiro, J. S.; Weston, R. E., Jr. J. Phys. Chem. 1972, 76, 1669.
- (1972) J. Phys. Chem , vol.76 , pp. 1669
- Shapiro, J.S.¹ Weston Jr., R.E.²

54
- 33748462282
- Knyazev, V. D.; Bencsura, A.; Stoliarov, S. I.; Slagle, I. R. J. Phys. Chem. 1996, 100, 11346.
- (1996) J. Phys. Chem , vol.100 , pp. 11346
- Knyazev, V.D.¹ Bencsura, A.² Stoliarov, S.I.³ Slagle, I.R.⁴

55
- 0000240552
- Gray, P.; Herod, A. A.; Jones, A. Chem. Rev. 1971, 71, 247.
- (1971) Chem. Rev , vol.71 , pp. 247
- Gray, P.¹ Herod, A.A.² Jones, A.³

56
- 0003783638
- Butterworths: London
- Kerr, J. A.; Parsonage, A. M. J. Evaluated Kinetic Data on Gas-Phase Hydrogen Transfer Reactions of Methyl Radicals; Butterworths: London, 1976.
- (1976) Evaluated Kinetic Data on Gas-Phase Hydrogen Transfer Reactions of Methyl Radicals
- Kerr, J.A.¹ Parsonage, A.M.J.²

57
- 33847087926
- Boyd, R. K. Chem. Rev. 1977, 77, 93.
- (1977) Chem. Rev , vol.77 , pp. 93
- Boyd, R.K.¹

58
- 36749113507
- Lim, C.; Truhlar, D. G. J. Chem. Phys. 1983, 79, 3296.
- (1983) J. Chem. Phys , vol.79 , pp. 3296
- Lim, C.¹ Truhlar, D.G.²

59
- 0000575689
- Furue, H.; Pacey, P. D. J. Phys. Chem. 1990, 94, 1419.
- (1990) J. Phys. Chem , vol.94 , pp. 1419
- Furue, H.¹ Pacey, P.D.²

60
- 0000888410
- Schatz, G. C.; Wagner, A. F.; Dunning, T. H., Jr. J. Phys. Chem. 1984, 88, 221.
- (1984) J. Phys. Chem , vol.88 , pp. 221
- Schatz, G.C.¹ Wagner, A.F.² Dunning Jr., T.H.³

61
- 34548713749
- Rebbert, R. E.; Steacie, E. W. R. Can. J. Chem. 1954, 32, 113.
- (1954) Can. J. Chem , vol.32 , pp. 113
- Rebbert, R.E.¹ Steacie, E.W.R.²

62
- 0000783595
- Benson, S. W.; Jain, D. V. S. J. Chem. Phys. 1959, 31, 1008.
- (1959) J. Chem. Phys , vol.31 , pp. 1008
- Benson, S.W.¹ Jain, D.V.S.²

63
- 36849023735
- Pratt, G.; Rogers, D. J. Chem. Soc., Faraday Trans. I 1976, 72, 2769.
- (1976) J. Chem. Soc., Faraday Trans. I , vol.72 , pp. 2769
- Pratt, G.¹ Rogers, D.²

64
- 0001627976
- Rodriguez, A. E.; Pacey, P. D. J. Phys. Chem. 1986, 90, 6298.
- (1986) J. Phys. Chem , vol.90 , pp. 6298
- Rodriguez, A.E.¹ Pacey, P.D.²

65
- 0002367267
- Steacie, E. W. R.; Phillips, N. W. F. J. Chem. Phys. 1936, 4, 461.
- (1936) J. Chem. Phys , vol.4 , pp. 461
- Steacie, E.W.R.¹ Phillips, N.W.F.²

66
- 0000060658
- Trenner, N. R.; Morikawa, K.; Taylor, H. S. J. Chem Phys. 1937, 5, 203.
- (1937) J. Chem Phys , vol.5 , pp. 203
- Trenner, N.R.¹ Morikawa, K.² Taylor, H.S.³

67
- 0001401806
- Germann, G. J.; Huh, Y. D.; Valentini, J. J. J. Chem. Phys. 1992, 96, 1957.
- (1992) J. Chem. Phys , vol.96 , pp. 1957
- Germann, G.J.¹ Huh, Y.D.² Valentini, J.J.³

68
- 85045229623
- Chou, C.-C.; Rowland, F. S. J. Chem. Phys. 1969, 50, 2763.
- (1969) J. Chem. Phys , vol.50 , pp. 2763
- Chou, C.-C.¹ Rowland, F.S.²

69
- 36849081169
- Chou, C.-C.; Rowland, F. S. J. Chem. Phys. 1969, 50, 5133.
- (1969) J. Chem. Phys , vol.50 , pp. 5133
- Chou, C.-C.¹ Rowland, F.S.²

70
- 33947290949
- Chou, C.-C.; Rowland, F. S. J. Phys. Chem. 1971, 75, 1283.
- (1971) J. Phys. Chem , vol.75 , pp. 1283
- Chou, C.-C.¹ Rowland, F.S.²

71
- 27344449179
- Ting, C.-T.; Weston, R. E., Jr. J. Phys. Chem. 1973, 77, 2257.
- (1973) J. Phys. Chem , vol.77 , pp. 2257
- Ting, C.-T.¹ Weston Jr., R.E.²

72
- 0000604146
- Momose, T.; Hoshina, H.; Sogoshi, N.; Katsuki, H.; Wakabayashi, T.; Shida, T. J. Chem. Phys. 1998, 108, 7334.
- (1998) J. Chem. Phys , vol.108 , pp. 7334
- Momose, T.¹ Hoshina, H.² Sogoshi, N.³ Katsuki, H.⁴ Wakabayashi, T.⁵ Shida, T.⁶

73
- 1642617382
- Hoshina, H.; Fushitani, M.; Momose, T.; Shida, T. J. Chem. Phys. 2004, 120, 3706.
- (2004) J. Chem. Phys , vol.120 , pp. 3706
- Hoshina, H.¹ Fushitani, M.² Momose, T.³ Shida, T.⁴

74
- 0002792563
- Wolfgang, R. Prog. React. Kinet. 1965, 3, 97.
- (1965) Prog. React. Kinet , vol.3 , pp. 97
- Wolfgang, R.¹

75
- 36849064105
- Wolfgang, R. Ann. Rev. Phys. Chem. 1995, 16, 15.
- (1995) Ann. Rev. Phys. Chem , vol.16 , pp. 15
- Wolfgang, R.¹

76
- 0005417417
- Valentini, J. J.; Aker, P. M.; Germann, G. J.; Huh, Y. D. Faraday Discuss. Chem. Soc. 1991, 91, 173.
- (1991) Faraday Discuss. Chem. Soc , vol.91 , pp. 173
- Valentini, J.J.¹ Aker, P.M.² Germann, G.J.³ Huh, Y.D.⁴

77
- 0000080734
- Germann, G. J.; Huh, Y. D.; Valentini, J. J. Chem. Phys. Lett. 1991, 183, 353.
- (1991) Chem. Phys. Lett , vol.183 , pp. 353
- Germann, G.J.¹ Huh, Y.D.² Valentini, J.J.³

78
- 0242636008
- Camden, J. P.; Bechtel, H.A.; Zare, R. N. Angew. Chem., Int. Ed. 2003, 42, 5227.
- (2003) Angew. Chem., Int. Ed , vol.42 , pp. 5227
- Camden, J.P.¹ Bechtel, H.A.² Zare, R.N.³

79
- 24144473116
- Camden, J. P.; Bechtel, H. A.; Brown, D. J. A.; Martin, M. R.; Zare, R. N.; Hu, W.; Lendvay, G.; Troya, D.; Schatz, G. C. J. Am. Chem. Soc. 2005, 127, 11898.
- (2005) J. Am. Chem. Soc , vol.127 , pp. 11898
- Camden, J.P.¹ Bechtel, H.A.² Brown, D.J.A.³ Martin, M.R.⁴ Zare, R.N.⁵ Hu, W.⁶ Lendvay, G.⁷ Troya, D.⁸ Schatz, G.C.⁹

80
- 31544482666
- Camden, J. P.; Hu, W.; Bechtel, H. A.; Brown, D. J. A.; Martin, M. R.; Zare, R. N.; Lendvay, G.; Troya, D.; Schatz, G. C. J. Phys. Chem. A 2006, 110, 677.
- (2006) J. Phys. Chem. A , vol.110 , pp. 677
- Camden, J.P.¹ Hu, W.² Bechtel, H.A.³ Brown, D.J.A.⁴ Martin, M.R.⁵ Zare, R.N.⁶ Lendvay, G.⁷ Troya, D.⁸ Schatz, G.C.⁹

81
- 33645666461
- Hu, W.; Lendvay, G.; Troya, D.; Schatz, G. C.; Camden, J. P.; Bechtel, H. A.; Brown, D. J. A.; Martin, M. R.; Zare, R. N. J. Phys. Chem. A 2006, 110, 3017.
- (2006) J. Phys. Chem. A , vol.110 , pp. 3017
- Hu, W.¹ Lendvay, G.² Troya, D.³ Schatz, G.C.⁴ Camden, J.P.⁵ Bechtel, H.A.⁶ Brown, D.J.A.⁷ Martin, M.R.⁸ Zare, R.N.⁹

82
- 0040184042
- Fernandez-Alonso, F.; Bean, B, D.; Ayers, J. D.; Pomerantz, A. E.; Zare, R. N.; Banares, L.; Aoiz, F. J. Angew. Chem., Int. Ed. 2000, 39, 2748.
- (2000) J. Angew. Chem., Int. Ed , vol.39 , pp. 2748
- Fernandez-Alonso, F.¹ Bean, B.D.² Ayers, J.D.³ Pomerantz, A.E.⁴ Zare, R.N.⁵ Banares, L.⁶ Aoiz, F.⁷

83
- 0036420257
- Fernandez-Alonso, F.; Zare, R. N. Ann. Rev. Phys. Chem. 2002, 53, 67.
- (2002) Ann. Rev. Phys. Chem , vol.53 , pp. 67
- Fernandez-Alonso, F.¹ Zare, R.N.²

84
- 26444438116
- Camden, J. P.; Bechtel, H. A.; Brown, D. J. A.; Zare, R. N. J. Chem. Phys. 2005, 123, 134301.
- (2005) J. Chem. Phys , vol.123 , pp. 134301
- Camden, J.P.¹ Bechtel, H.A.² Brown, D.J.A.³ Zare, R.N.⁴

85
- 31144443031
- Camden, J. P.; Bechtel, H. A.; Brown, D. J. A.; Zare, R. N. J. Chem. Phys. 2006, 124, 34311.
- (2006) J. Chem. Phys , vol.124 , pp. 34311
- Camden, J.P.¹ Bechtel, H.A.² Brown, D.J.A.³ Zare, R.N.⁴

86
- 4243125018
- Baldridge, K. K.; Gordon, M. S.; Steckler, R.; Truhlar, D. G. J. Phys. Chem. 1989, 93, 5107.
- (1989) J. Phys. Chem , vol.93 , pp. 5107
- Baldridge, K.K.¹ Gordon, M.S.² Steckler, R.³ Truhlar, D.G.⁴

87
- 0001319144
- Truhlar, D. G.; Gordon, M. S. Science 1990, 249, 491.
- (1990) Science , vol.249 , pp. 491
- Truhlar, D.G.¹ Gordon, M.S.²

88
- 0013616075
- Gonzalez-Lafont, A.; Truong, T. N.; Trublar, D. O. J. Phys. Chem. 1991, 95, 4618.
- (1991) J. Phys. Chem , vol.95 , pp. 4618
- Gonzalez-Lafont, A.¹ Truong, T.N.² Trublar, D.O.³

89
- 0004023554
- Heidrich, D, Ed, Kluwer: Dordrecht, The Netherlands
- Truhlar, D. G. In The Reaction Path in Chemistry: Current Approaches and Perspectives; Heidrich, D., Ed.; Kluwer: Dordrecht, The Netherlands, 1995; p 229.
- (1995) In The Reaction Path in Chemistry: Current Approaches and Perspectives , pp. 229
- Truhlar, D.G.¹

90
- 0001435807
- London, F. Z. Elektrochem. 1929, 35, 552.
- (1929) Z. Elektrochem , vol.35 , pp. 552
- London, F.¹

91
- 0004251709
- Wiley: New York
- Eyring, H.; Walter, J.; Kimball, G. E. Quantum Chemistry; Wiley: New York, 1944.
- (1944) Quantum Chemistry
- Eyring, H.¹ Walter, J.² Kimball, G.E.³

92
- 0001764469
- Truhlar, D. G.; Parr, C. A. J. Phys. Chem. 1971, 75, 1844.
- (1971) J. Phys. Chem , vol.75 , pp. 1844
- Truhlar, D.G.¹ Parr, C.A.²

93
- 0347397139
- Raff, L. M. J. Chem. Phys. 1974, 60, 2220.
- (1974) J. Chem. Phys , vol.60 , pp. 2220
- Raff, L.M.¹

94
- 31544452132
- Chakraborty, A.; Zhao, Y.; Lin, H.; Trublar, D. G. J. Chem. Phys. 2006, 124, 44315.
- (2006) J. Chem. Phys , vol.124 , pp. 44315
- Chakraborty, A.¹ Zhao, Y.² Lin, H.³ Trublar, D.G.⁴

95
- 36849059531
- Gorin, E.; Kauzmann, W.; Walter, J.; Eyring, H. J. Chem. Phys. 1939, 7, 633.
- (1939) J. Chem. Phys , vol.7 , pp. 633
- Gorin, E.¹ Kauzmann, W.² Walter, J.³ Eyring, H.⁴

96
- 36849027950
- Polanyi, J. C. J. Chem. Phys. 1955, 23, 1505.
- (1955) J. Chem. Phys , vol.23 , pp. 1505
- Polanyi, J.C.¹

97
- 85044683272
- Polanyi, J. C. J. Chem. Phys. 1956, 24, 493.
- (1956) J. Chem. Phys , vol.24 , pp. 493
- Polanyi, J.C.¹

98
- 33846628561
- Johnston, H. S.; Parr, C. J. Am. Chem. Soc. 1963, 85, 2544.
- (1963) J. Am. Chem. Soc , vol.85 , pp. 2544
- Johnston, H.S.¹ Parr, C.²

99
- 0001409795
- Johnston, H. S. Adv. Chem. Phys. 1960, 3, 131.
- (1960) Adv. Chem. Phys , vol.3 , pp. 131
- Johnston, H.S.¹

100
- 36148966121
- Johnston, H. S.; Goldfinger, P. J. Chem. Phys. 1962, 37, 700.
- (1962) J. Chem. Phys , vol.37 , pp. 700
- Johnston, H.S.¹ Goldfinger, P.²

101
- 3342938764
- Arthur, N. L.; McDonell, J. A. J. Chem. Phys. 1972, 56, 3100.
- (1972) J. Chem. Phys , vol.56 , pp. 3100
- Arthur, N.L.¹ McDonell, J.A.²

102
- 33748602714
- Arthur, N. L.; Donchi, K. F.; McDonell, J. A. J. Chem. Phys. 1975, 62, 1585.
- (1975) J. Chem. Phys , vol.62 , pp. 1585
- Arthur, N.L.¹ Donchi, K.F.² McDonell, J.A.³

103
- 0001020907
- Arthur, N. L.; Donchi, K. F.; McDonell, J. A. J. Chem, Soc., Faraday Trans. 1975, 71, 2431.
- (1975) J. Chem, Soc., Faraday Trans , vol.71 , pp. 2431
- Arthur, N.L.¹ Donchi, K.F.² McDonell, J.A.³

104
- 33845559335
- Garrett, B. C.; Truhlar, D. G. J. Am, Chem. Soc. 1979, 101, 4534.
- (1979) J. Am, Chem. Soc , vol.101 , pp. 4534
- Garrett, B.C.¹ Truhlar, D.G.²

105
- 36849105387
- Kuntz, P. J.; Nemeth, E. M.; Polanyi, J. C.; Wong, W. H. J. Chem. Phys. 1970, 52, 4654.
- (1970) J. Chem. Phys , vol.52 , pp. 4654
- Kuntz, P.J.¹ Nemeth, E.M.² Polanyi, J.C.³ Wong, W.H.⁴

106
- 0001752973
- Eyring, H.; Polanyi, M. Z. Phys. Chem. 1931, B12, 279.
- (1931) Z. Phys. Chem , vol.B12 , pp. 279
- Eyring, H.¹ Polanyi, M.²

107
- 0000793024
- Sato, S. Bull. Chem. Soc. Jpn. 1955, 28, 450.
- (1955) Bull. Chem. Soc. Jpn , vol.28 , pp. 450
- Sato, S.¹

108
- 0000127714
- Sato, S. J. Chem. Phys. 1955, 23, 2465.
- (1955) J. Chem. Phys , vol.23 , pp. 2465
- Sato, S.¹

109
- 36849102728
- Kuntz, P. J.; Nemeth, E. M.; Polanyi, J. C.; Rosner, S. D.; Young, C. E. J. Chem Phys. 1966, 44, 1168.
- (1966) J. Chem Phys , vol.44 , pp. 1168
- Kuntz, P.J.¹ Nemeth, E.M.² Polanyi, J.C.³ Rosner, S.D.⁴ Young, C.E.⁵

110
- 0013683933
- Balint-Kurti, G. G. Adv. Chem. Phys. 1975, 30, 137.
- (1975) Adv. Chem. Phys , vol.30 , pp. 137
- Balint-Kurti, G.G.¹

111
- 0011159421
- Ellison, F. O. J. Chem. Phys. 1964, 41, 2198.
- (1964) J. Chem. Phys , vol.41 , pp. 2198
- Ellison, F.O.¹

112
- 0039790434
- Eaker, C. W.; Parr, C. A. J. Chem. Phys. 1976, 64, 1322.
- (1976) J. Chem. Phys , vol.64 , pp. 1322
- Eaker, C.W.¹ Parr, C.A.²

113
- 4243621352
- Bunker, D. L.; Pattengill, M. Chem. Phys. Lett. 1969, 4, 315.
- (1969) Chem. Phys. Lett , vol.4 , pp. 315
- Bunker, D.L.¹ Pattengill, M.²

114
- 0001118333
- Bunker, D. L.; Pattengill, M. J. Chem. Phys. 1970, 53, 3041.
- (1970) J. Chem. Phys , vol.53 , pp. 3041
- Bunker, D.L.¹ Pattengill, M.²

115
- 4243940045
- Valencich, T.; Bunker, D. L. Chem. Phys. Lett. 1973, 20, 50.
- (1973) Chem. Phys. Lett , vol.20 , pp. 50
- Valencich, T.¹ Bunker, D.L.²

116
- 0003167766
- Valencich, T.; Bunker, D. L. J. Chem. Phys. 1974, 61, 21.
- (1974) J. Chem. Phys , vol.61 , pp. 21
- Valencich, T.¹ Bunker, D.L.²

117
- 0000481322
- Chapman, S.; Bunker, D. L. J. Chem. Phys. 1975, 62, 2890.
- (1975) J. Chem. Phys , vol.62 , pp. 2890
- Chapman, S.¹ Bunker, D.L.²

118
- 36849002717
- Wall, F. T.; Porter, R. N. J. Chem. Phys. 1962, 36, 3256.
- (1962) J. Chem. Phys , vol.36 , pp. 3256
- Wall, F.T.¹ Porter, R.N.²

119
- 0001121288
- Agmon, N.; Levine, R. D. J. Chem. Phys. 1979, 71, 3034.
- (1979) J. Chem. Phys , vol.71 , pp. 3034
- Agmon, N.¹ Levine, R.D.²

120
- 1542315809
- Garrett, B. C.; Trublar, D. G. J. Phys. Chem. 1979, 83, 1052.
- (1979) J. Phys. Chem , vol.83 , pp. 1052
- Garrett, B.C.¹ Trublar, D.G.²

121
- 0013583717
- Wagner, A, F.; Schatz, G. C.; Bowman, J. M. J. Chem. Phys. 1981, 74, 4960.
- (1981) J. Chem. Phys , vol.74 , pp. 4960
- Wagner, A.F.¹ Schatz, G.C.² Bowman, J.M.³

122
- 36549100768
- Joseph, T.; Truhlar, D. G.; Garrett, B. C. J. Chem. Phys. 1988, 88, 6982.
- (1988) J. Chem. Phys , vol.88 , pp. 6982
- Joseph, T.¹ Truhlar, D.G.² Garrett, B.C.³

123
- 15944395231
- Vande Linde, S. R.; Hase, W. L. J. Phys. Chem. 1990, 94, 2778.
- (1990) J. Phys. Chem , vol.94 , pp. 2778
- Vande Linde, S.R.¹ Hase, W.L.²

124
- 33846656241
- Raff, L. M.; Stivers, L.; Porter, R. N.; Thompson, D. L.; Sims, L. B. J. Chem. Phys. 1970, 52, 3449.
- (1970) J. Chem. Phys , vol.52 , pp. 3449
- Raff, L.M.¹ Stivers, L.² Porter, R.N.³ Thompson, D.L.⁴ Sims, L.B.⁵

125
- 36849100805
- Pople, J. A.; Beveridge, D. L.; Dobosh, P. A. J. Chem. Phys. 1967, 47, 2026.
- (1967) J. Chem. Phys , vol.47 , pp. 2026
- Pople, J.A.¹ Beveridge, D.L.² Dobosh, P.A.³

126
- 0001031379
- Steckler, R.; Dykema, K. J.; Brown, F. B.; Hancock, G. C.; Truhlar, D. G.; Valencich, T. J. Chem, Phys. 1987, 87, 7024.
- (1987) J. Chem, Phys , vol.87 , pp. 7024
- Steckler, R.¹ Dykema, K.J.² Brown, F.B.³ Hancock, G.C.⁴ Truhlar, D.G.⁵ Valencich, T.⁶

127
- 0011345314
- Huang, J.; Valentini, J. J.; Muckerman, J. T. J. Chem. Phys. 1995, 102, 5695.
- (1995) J. Chem. Phys , vol.102 , pp. 5695
- Huang, J.¹ Valentini, J.J.² Muckerman, J.T.³

128
- 20544477119
- Duchovic, R. J.; Hase, W. L.; Schlegel, H. B. J. Phys. Chem. 1984, 88, 1339.
- (1984) J. Phys. Chem , vol.88 , pp. 1339
- Duchovic, R.J.¹ Hase, W.L.² Schlegel, H.B.³

129
- 33846706071
- Joseph, T.; Steckler, R.; Truhlar, D. G. J. Chem. Phys. 1987, 87, 7036.
- (1987) J. Chem. Phys , vol.87 , pp. 7036
- Joseph, T.¹ Steckler, R.² Truhlar, D.G.³

130
- 0000207674
- Walch, S. P. J. Chem. Phys. 1980, 72, 4932.
- (1980) J. Chem. Phys , vol.72 , pp. 4932
- Walch, S.P.¹

131
- 0000663856
- Schatz, G. C.; Walch, S. P.; Wagner, A. F. J. Chem. Phys. 1980, 73, 4536.
- (1980) J. Chem. Phys , vol.73 , pp. 4536
- Schatz, G.C.¹ Walch, S.P.² Wagner, A.F.³

132
- 12344262393
- Sana, M.; Leroy, G.; Villaveces, J. L. Theor. Chim. Acta 1984, 65, 109.
- (1984) Theor. Chim. Acta , vol.65 , pp. 109
- Sana, M.¹ Leroy, G.² Villaveces, J.L.³

133
- 36449004568
- Jordan, M. J. T.; Gilbert, R. G. J. Chem. Phys. 1995, 102, 5669.
- (1995) J. Chem. Phys , vol.102 , pp. 5669
- Jordan, M.J.T.¹ Gilbert, R.G.²

134
- 33748449457
- Espinosa-Garcia, J.; Corchado, J. C. J. Phys. Chem. 1996, 100, 16561.
- (1996) J. Phys. Chem , vol.100 , pp. 16561
- Espinosa-Garcia, J.¹ Corchado, J.C.²

135
- 0034731168
- Yu, H.-G. Chem. Phys. Lett. 2000, 332, 538.
- (2000) Chem. Phys. Lett , vol.332 , pp. 538
- Yu, H.-G.¹

136
- 1442355040
- Kerkeni, B.; Clary, D. C. J. Chem. Phys. 2004, 120, 2308.
- (2004) J. Chem. Phys , vol.120 , pp. 2308
- Kerkeni, B.¹ Clary, D.C.²

137
- 0037154414
- Pu, J.; Truhlar, D. G. J. Chem. Phys. 2002, 116, 1468.
- (2002) J. Chem. Phys , vol.116 , pp. 1468
- Pu, J.¹ Truhlar, D.G.²

138
- 0037115858
- Pu, J.; Truhlar, D. G. J. Chem. Phys. 2002, 117, 10675.
- (2002) J. Chem. Phys , vol.117 , pp. 10675
- Pu, J.¹ Truhlar, D.G.²

139
- 33747241977
- Varandas, A. J. C.; Caridade, P. J. S. B.; Zhang, J. Z. H.; Cui, Q.; Han, K. L. J. Chem. Phys. 2006, 125, 64312.
- (2006) J. Chem. Phys , vol.125 , pp. 64312
- Varandas, A.J.C.¹ Caridade, P.J.S.B.² Zhang, J.Z.H.³ Cui, Q.⁴ Han, K.L.⁵

140
- 0037158153
- Pu, J.; Truhlar, D. G. J. Chem. Phys. 2002, 117, 1479.
- (2002) J. Chem. Phys , vol.117 , pp. 1479
- Pu, J.¹ Truhlar, D.G.²

141
- 0035967409
- Huarte-Larrañaga, F.; Manthe, U. J. Phys. Chem. A 2001, 105, 2522.
- (2001) J. Phys. Chem. A , vol.105 , pp. 2522
- Huarte-Larrañaga, F.¹ Manthe, U.²

142
- 0035367370
- Bowman, J. M.; Wang, D.; Huang, X.; Huarte-Larranaga, F.; Manthe, U. J. Chem. Phys. 2001, 114, 9683.
- (2001) J. Chem. Phys , vol.114 , pp. 9683
- Bowman, J.M.¹ Wang, D.² Huang, X.³ Huarte-Larranaga, F.⁴ Manthe, U.⁵

143
- 0034299589
- Huarte-Larrañaga, F.; Manthe, U. J. Chem. Phys. 2000, 113, 5115.
- (2000) J. Chem. Phys , vol.113 , pp. 5115
- Huarte-Larrañaga, F.¹ Manthe, U.²

144
- 0343791207
- Miller, W. H.; Schwartz, S. D.; Tromp, J. W. J. Chem. Phys. 1983, 79, 4889.
- (1983) J. Chem. Phys , vol.79 , pp. 4889
- Miller, W.H.¹ Schwartz, S.D.² Tromp, J.W.³

145
- 36849088864
- Tromp, J. W.; Miller, W. H. Faraday Discuss. Chem. Soc. 1987, 84, 441.
- (1987) Faraday Discuss. Chem. Soc , vol.84 , pp. 441
- Tromp, J.W.¹ Miller, W.H.²

146
- 0035473838
- Pu, J.; Corchado, J. C.; Truhlar, D. G. J. Chem. Phys. 2001, 115, 6266.
- (2001) J. Chem. Phys , vol.115 , pp. 6266
- Pu, J.¹ Corchado, J.C.² Truhlar, D.G.³

147
- 0003854825
- Thompson, D. L, Ed, World Scientific: Singapore
- Allison, T. C.; Truhlar, D. G. In Modern Methods for Multidimensional Dynamics Computations in Chemistry; Thompson, D. L., Ed.; World Scientific: Singapore, 1998; p 618.
- (1998) Modern Methods for Multidimensional Dynamics Computations in Chemistry , pp. 618
- Allison, T.C.¹ Truhlar, D.G.²

148
- 0001432896
- New Theoretical Concepts Understanding Organic Reactions
- Bertran, J, Csizmodia, I. G, Ed, Kluwer Academic Publishers: Dordrecht, The Netherlands
- Tucker, S. C.; Truhlar, D. G. In New Theoretical Concepts Understanding Organic Reactions; Bertran, J., Csizmodia, I. G., Ed.; NATO ASI Series C 267; Kluwer Academic Publishers: Dordrecht, The Netherlands, 1989; p 291.
- (1989) NATO ASI Series , Issue.C 267 , pp. 291
- Tucker, S.C.¹ Truhlar, D.G.²

149
- 0000591875
- Espinosa-Garcia, J. J. Chem. Phys. 1999, 111, 9330.
- (1999) J. Chem. Phys , vol.111 , pp. 9330
- Espinosa-Garcia, J.¹

150
- 0037157721
- Espinosa-Garcia, J. J. Chem. Phys. 2002, 116, 10664.
- (2002) J. Chem. Phys , vol.116 , pp. 10664
- Espinosa-Garcia, J.¹

151
- 33646146721
- Rangel, C.; Garcia-Bernaldez, J. C.; Espinosa-Garcia, J. Chem. Phys. Lett. 2006, 422, 581.
- (2006) Chem. Phys. Lett , vol.422 , pp. 581
- Rangel, C.¹ Garcia-Bernaldez, J.C.² Espinosa-Garcia, J.³

152
- 33748770058
- Rangel, C.; Corchado, J. C.; Espinosa-Garcia, J. J. Phys. Chem. A 2006, 110, 10375.
- (2006) J. Phys. Chem. A , vol.110 , pp. 10375
- Rangel, C.¹ Corchado, J.C.² Espinosa-Garcia, J.³

153
- 33749630779
- Rangel, C.; Sanson, J.; Corchado, J. C.; Espinosa-Garcia, J.; Nyman, G. J. Phys. Chem. A 2006, 110, 10715.
- (2006) J. Phys. Chem. A , vol.110 , pp. 10715
- Rangel, C.¹ Sanson, J.² Corchado, J.C.³ Espinosa-Garcia, J.⁴ Nyman, G.⁵

154
- 0000198914
- Espinosa-Garcia, J.; Sanson, J.; Corchado, J. C. J. Chem. Phys. 1998, 109, 466.
- (1998) J. Chem. Phys , vol.109 , pp. 466
- Espinosa-Garcia, J.¹ Sanson, J.² Corchado, J.C.³

155
- 0034656446
- Espinosa-Garcia, J.; Garcia-Bernaldez, J. C. Phys. Chem. Chem. Phys. 2000, 2, 2345.
- (2000) Phys. Chem. Chem. Phys , vol.2 , pp. 2345
- Espinosa-Garcia, J.¹ Garcia-Bernaldez, J.C.²

156
- 14544289065
- Rangel, C.; Navarrete, M.; Espinosa-Garcia, J. J. Phys. Chem. A 2005, 109, 1441.
- (2005) J. Phys. Chem. A , vol.109 , pp. 1441
- Rangel, C.¹ Navarrete, M.² Espinosa-Garcia, J.³

157
- 34248190857
- Espinosa-Garcia, J.; Bravo, J. L.; Rangel, C. J. Phys. Chem. A 2007, 111, 2761.
- (2007) J. Phys. Chem. A , vol.111 , pp. 2761
- Espinosa-Garcia, J.¹ Bravo, J.L.² Rangel, C.³

158
- 0033691642
- Corchado, J. C.; Truhlar, D. G.; Espinosa-Garcia, J. J. Chem. Phys. 2000, 112, 9375.
- (2000) J. Chem. Phys , vol.112 , pp. 9375
- Corchado, J.C.¹ Truhlar, D.G.² Espinosa-Garcia, J.³

159
- 34547139411
- Rangel, C.; Navarrete, M.; Corchado, J. C.; Espinosa-Garcia, J. J. Chem. Phys. 2006, 124, 124306.
- (2006) J. Chem. Phys , vol.124 , pp. 124306
- Rangel, C.¹ Navarrete, M.² Corchado, J.C.³ Espinosa-Garcia, J.⁴

160
- 0036679443
- Espinosa-Garcia, J. J. Chem. Phys. 2002, 117, 2076.
- (2002) J. Chem. Phys , vol.117 , pp. 2076
- Espinosa-Garcia, J.¹

161
- 24144484161
- Rangel, C.; Espinosa-Garcia, J. J. Chem. Phys. 2005, 122, 134315.
- (2005) J. Chem. Phys , vol.122 , pp. 134315
- Rangel, C.¹ Espinosa-Garcia, J.²

162
- 0000602992
- Espinosa-Garcia, J.; Corchado, J. C. J. Chem. Phys. 2000, 112, 5731.
- (2000) J. Chem. Phys , vol.112 , pp. 5731
- Espinosa-Garcia, J.¹ Corchado, J.C.²

163
- 31644440685
- Rangel, C.; Espinosa-Garcia, J. J. Phys. Chem. A 2006, 110, 537.
- (2006) J. Phys. Chem. A , vol.110 , pp. 537
- Rangel, C.¹ Espinosa-Garcia, J.²

164
- 34347353161
- Rangel, C.; Espinosa-Garcia, J. J. Phys. Chem. A 2007, 111, 5057.
- (2007) J. Phys. Chem. A , vol.111 , pp. 5057
- Rangel, C.¹ Espinosa-Garcia, J.²

165
- 4944252956
- Espinosa-Garcia, J.; Corchado, J. C. Recent Res. Dev. Phys. Chem. 1997, 1, 165.
- (1997) Recent Res. Dev. Phys. Chem , vol.1 , pp. 165
- Espinosa-Garcia, J.¹ Corchado, J.C.²

166
- 0009747562
- Espinosa-Garcia, J. Trends Chem. Phys. 2000, 8, 49.
- (2000) Trends Chem. Phys , vol.8 , pp. 49
- Espinosa-Garcia, J.¹

167
- 33745159410
- Jaquet, R. Lect. Notes Chem. 1999, 71, 97.
- (1999) Lect. Notes Chem , vol.71 , pp. 97
- Jaquet, R.¹

168
- 3142635567
- Schatz, G. C. Lect. Notes Chem. 2000, 75, 15.
- (2000) Lect. Notes Chem , vol.75 , pp. 15
- Schatz, G.C.¹

169
- 0002833182
- Rossi, I.; Truhlar, D. G. Chem. Phys. Lett. 1995, 233, 231.
- (1995) Chem. Phys. Lett , vol.233 , pp. 231
- Rossi, I.¹ Truhlar, D.G.²

170
- 0002427126
- The Theory of Chemical Reaction Dynamics
- Clary, D. C, Ed, Reidel: Dordrecht, The Netherlands, 170, p
- Truhlar, D. G.; Brown, F. B.; Steckler, R.; Isaacson, A. D. In The Theory of Chemical Reaction Dynamics; Clary, D. C., Ed.; NATO ASI Series C; Reidel: Dordrecht, The Netherlands, 1986; Vol. 170, p 285.
- (1986) NATO ASI Series , vol.100 , pp. 285
- Truhlar, D.G.¹ Brown, F.B.² Steckler, R.³ Isaacson, A.D.⁴

171
- 0000189651
- Becke, A. D. J. Chem Phys. 1993, 98, 5648.
- (1993) J. Chem Phys , vol.98 , pp. 5648
- Becke, A.D.¹

172
- 6944251055
- Møller, C.; Plesset, M. S. Phys. Rev. 1934, 46, 618.
- (1934) Phys. Rev , vol.46 , pp. 618
- Møller, C.¹ Plesset, M.S.²

173
- 25044455217
- Head-Gordon, M.; Pople, J. A.; Frisch, M. J. Chem. Phys. Lett. 1988, 153, 503.
- (1988) Chem. Phys. Lett , vol.153 , pp. 503
- Head-Gordon, M.¹ Pople, J.A.² Frisch, M.J.³

174
- 84987093700
- Krishnan, R.; Pople, J. A. Int. J. Quantum Chem. 1978, 14, 91.
- (1978) Int. J. Quantum Chem , vol.14 , pp. 91
- Krishnan, R.¹ Pople, J.A.²

175
- 84987058929
- Pople, J. A.; Seeger, R.; Krishnan, R. Int. J. Quantum Chem. Symp. 1977, 11, 149.
- (1977) Int. J. Quantum Chem. Symp , vol.11 , pp. 149
- Pople, J.A.¹ Seeger, R.² Krishnan, R.³

176
- 36749114738
- Krishnan, R.; Schlegel, H. B.; Pople, J. A. J. Chem. Phys. 1980, 72, 4654.
- (1980) J. Chem. Phys , vol.72 , pp. 4654
- Krishnan, R.¹ Schlegel, H.B.² Pople, J.A.³

177
- 84984038295
- Raghavachari, K.; Pople, J. A. Int. J. Quantum Chem. 1981, 20, 1067.
- (1981) Int. J. Quantum Chem , vol.20 , pp. 1067
- Raghavachari, K.¹ Pople, J.A.²

178
- 0011682081
- Pople, J. A.; Head-Gordon, M.; Raghavachari, K. J. Chem. Phys. 1987, 87, 5968.
- (1987) J. Chem. Phys , vol.87 , pp. 5968
- Pople, J.A.¹ Head-Gordon, M.² Raghavachari, K.³

179
- 0001802479
- Cizek, J. Adv. Chem. Phys. 1969, 14, 35.
- (1969) Adv. Chem. Phys , vol.14 , pp. 35
- Cizek, J.¹

180
- 84987097935
- Pople, J. A.; Krishnan, R.; Schlegel, H. B.; Binkley, J. S. Int. J. Quantum Chem. 1978, 14, 545.
- (1978) Int. J. Quantum Chem , vol.14 , pp. 545
- Pople, J.A.¹ Krishnan, R.² Schlegel, H.B.³ Binkley, J.S.⁴

181
- 0001626413
- Bartlett, R. J. Ann. Rev. Phys. Chem. 1981, 32, 359.
- (1981) Ann. Rev. Phys. Chem , vol.32 , pp. 359
- Bartlett, R.J.¹

182
- 0000301667
- Purvis, G. D., III; Bartlett, R. J. J. Chem. Phys. 1981, 75, 1284.
- (1981) J. Chem. Phys , vol.75 , pp. 1284
- Purvis III, G.D.¹ Bartlett, R.J.²

183
- 0000122016
- Purvis, G. D., III; Bartlett, R. J. J. Chem. Phys. 1982, 76, 1910.
- (1982) J. Chem. Phys , vol.76 , pp. 1910
- Purvis III, G.D.¹ Bartlett, R.J.²

184
- 36549098398
- Scuseria, G. E.; Janssen, C. L.; Schaefer, H. F., III J. Chem. Phys. 1988, 89, 7382.
- (1988) J. Chem. Phys , vol.89 , pp. 7382
- Scuseria, G.E.¹ Janssen, C.L.² Schaefer III, H.F.³

185
- 0004436739
- Scuseria, G. E.; Schaefer, H. F., III Chem. Phys. Lett. 1988, 152, 382.
- (1988) Chem. Phys. Lett , vol.152 , pp. 382
- Scuseria, G.E.¹ Schaefer III, H.F.²

186
- 36549094556
- Scuseria, G. E.; Schaefer, H. F., III J. Chem. Phys. 1989, 90, 3700.
- (1989) J. Chem. Phys , vol.90 , pp. 3700
- Scuseria, G.E.¹ Schaefer III, H.F.²

187
- 22944436471
- Villaume, S.; Daniel, C.; Strich, A.; Perera, S. A.; Bartlett, R. J. J. Chem. Phys. 2005, 122, 44313.
- (2005) J. Chem. Phys , vol.122 , pp. 44313
- Villaume, S.¹ Daniel, C.² Strich, A.³ Perera, S.A.⁴ Bartlett, R.J.⁵

188
- 0041401966
- Curtiss, L. A.; Raghavachari, K.; Trucks, G. W.; Pople, J. A. J. Chem Phys. 1991, 94, 7221.
- (1991) J. Chem Phys , vol.94 , pp. 7221
- Curtiss, L.A.¹ Raghavachari, K.² Trucks, G.W.³ Pople, J.A.⁴

189
- 0012154673
- Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Rassolov, V.; Pople, J. A. J. Chem. Phys. 1998, 109, 7764.
- (1998) J. Chem. Phys , vol.109 , pp. 7764
- Curtiss, L.A.¹ Raghavachari, K.² Redfern, P.C.³ Rassolov, V.⁴ Pople, J.A.⁵

190
- 0000927464
- Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Pople, J. A. J. Chem. Phys. 2000, 112, 1125.
- (2000) J. Chem. Phys , vol.112 , pp. 1125
- Curtiss, L.A.¹ Raghavachari, K.² Redfern, P.C.³ Pople, J.A.⁴

191
- 33847679988
- Curtiss, L. A.; Redfern, P. C.; Raghavachari, K. J. Chem. Phys. 2007, 126, 084108/1.
- (2007) J. Chem. Phys , vol.126 , pp. 084108-084101
- Curtiss, L.A.¹ Redfern, P.C.² Raghavachari, K.³

192
- 0001360843
- Fast, P. L.; Corchado, J. C.; Sanchez, M. L.; Truhlar, D. G. J. Phys. Chem. A 1999, 103, 5129.
- (1999) J. Phys. Chem. A , vol.103 , pp. 5129
- Fast, P.L.¹ Corchado, J.C.² Sanchez, M.L.³ Truhlar, D.G.⁴

193
- 0001317989
- Fast, P. L.; Sanchez, M. L.; Truhlar, D. G. Chem. Phys. Lett. 1999, 306, 407.
- (1999) Chem. Phys. Lett , vol.306 , pp. 407
- Fast, P.L.¹ Sanchez, M.L.² Truhlar, D.G.³

194
- 36849071196
- Tratz, C. M.; Fast, P. L.; Truhlar, D. G. PhysChemComm 1999, 2 (14), 79.
- (1999) PhysChemComm , vol.2 , Issue.14 , pp. 79
- Tratz, C.M.¹ Fast, P.L.² Truhlar, D.G.³

195
- 0000732321
- Rodgers, J. M.; Fast, P. L.; Truhlar, D. G. J. Chem. Phys. 2000, 112, 3141.
- (2000) J. Chem. Phys , vol.112 , pp. 3141
- Rodgers, J.M.¹ Fast, P.L.² Truhlar, D.G.³

196
- 0034225915
- Fast, P. L,; Truhlar, D. G. J. Phys. Chem. A 2000, 104, 6111.
- (2000) J. Phys. Chem. A , vol.104 , pp. 6111
- Fast, P.L.¹ Truhlar, D.G.²

197
- 0001367215
- González, C.; McDouall, J. J. W.; Schlegel, H. B. J. Phys. Chem. 1990, 94, 7467.
- (1990) J. Phys. Chem , vol.94 , pp. 7467
- González, C.¹ McDouall, J.J.W.² Schlegel, H.B.³

198
- 36448999166
- Kraka, E.; Gauss, J.; Cremer, D. J. Chem. Phys. 1993, 99, 5306.
- (1993) J. Chem. Phys , vol.99 , pp. 5306
- Kraka, E.¹ Gauss, J.² Cremer, D.³

199
- 36449003311
- Truong, T. N. J. Chem. Phys. 1994, 100, 8014.
- (1994) J. Chem. Phys , vol.100 , pp. 8014
- Truong, T.N.¹

200
- 11744326955
- Truong, T. N.; Duncan, W. J. Chem. Phys. 1994, 101, 7408.
- (1994) J. Chem. Phys , vol.101 , pp. 7408
- Truong, T.N.¹ Duncan, W.²

201
- 33751158246
- Dobbs, K. D.; Dixon, D. A. J. Phys. Chem. 1994, 98, 5290.
- (1994) J. Phys. Chem , vol.98 , pp. 5290
- Dobbs, K.D.¹ Dixon, D.A.²

202
- 36449007999
- Porezag, D.; Pederson, M. R. J. Chem. Phys. 1995, 102, 9345.
- (1995) J. Chem. Phys , vol.102 , pp. 9345
- Porezag, D.¹ Pederson, M.R.²

203
- 0030581027
- Jursic, B. S. Chem. Phys. Lett. 1996, 256, 603.
- (1996) Chem. Phys. Lett , vol.256 , pp. 603
- Jursic, B.S.¹

204
- 0002607171
- Jursic, B. S. Theochem 1998, 430, 17.
- (1998) Theochem , vol.430 , pp. 17
- Jursic, B.S.¹

205
- 0000704772
- Kurosaki, Y.; Takayanagi, T. Chem. Phys. Lett. 1999, 299, 57.
- (1999) Chem. Phys. Lett , vol.299 , pp. 57
- Kurosaki, Y.¹ Takayanagi, T.²

206
- 0001518186
- Kurosaki, Y.; Takayanagi, T. J. Chem. Phys. 1999, 110, 10830.
- (1999) J. Chem. Phys , vol.110 , pp. 10830
- Kurosaki, Y.¹ Takayanagi, T.²

207
- 0037042114
- Patchkovskii, S.; Ziegler, T. J. Chem. Phys. 2002, 116, 7806.
- (2002) J. Chem. Phys , vol.116 , pp. 7806
- Patchkovskii, S.¹ Ziegler, T.²

208
- 0035953973
- Fast, P. L.; Schultz, N. E.; Truhlar, D. G. J. Phys. Chem. A 2001, 105, 4143.
- (2001) J. Phys. Chem. A , vol.105 , pp. 4143
- Fast, P.L.¹ Schultz, N.E.² Truhlar, D.G.³

209
- 0038390449
- Lynch, B. J.; Truhlar, D. G. J. Phys. Chem. A 2003, 107, 3898.
- (2003) J. Phys. Chem. A , vol.107 , pp. 3898
- Lynch, B.J.¹ Truhlar, D.G.²

210
- 34250345881
- Zheng, J.; Zhao, Y.; Truhlar, D. G. J. Chem. Theory Comput. 2007, 3, 569.
- (2007) J. Chem. Theory Comput , vol.3 , pp. 569
- Zheng, J.¹ Zhao, Y.² Truhlar, D.G.³

211
- 11244326290
- Adamo, C.; Barone, V. J. Chem. Phys. 1998, 108, 664.
- (1998) J. Chem. Phys , vol.108 , pp. 664
- Adamo, C.¹ Barone, V.²

212
- 0002851019
- Ziesche, P, Eschrig, H, Eds, Akademie Verlag: Berlin
- Perdew, J. P. In Electronic Structure of Solids; Ziesche, P., Eschrig, H., Eds.; Akademie Verlag: Berlin, 1991; p 11.
- (1991) Electronic Structure of Solids , pp. 11
- Perdew, J.P.¹

213
- 0033731344
- Lynch, B. J.; Fast, P. L.; Harris, M.; Truhlar, D. G. J. Phys. Chem. A 2000, 104, 4811.
- (2000) J. Phys. Chem. A , vol.104 , pp. 4811
- Lynch, B.J.¹ Fast, P.L.² Harris, M.³ Truhlar, D.G.⁴

214
- 36449006558
- Ischtwan, I.; Collins, M. A. J. Chem. Phys. 1994, 100, 8080.
- (1994) J. Chem. Phys , vol.100 , pp. 8080
- Ischtwan, I.¹ Collins, M.A.²

215
- 36448999897
- Jordan, M. J. T.; Thompson, K. C.; Collins, M. A. J. Chem. Phys. 1995, 103, 9669.
- (1995) J. Chem. Phys , vol.103 , pp. 9669
- Jordan, M.J.T.¹ Thompson, K.C.² Collins, M.A.³

216
- 36448999133
- Jordan, M. J. T.; Thompson, K. C.; Collins, M. A. J. Chem. Phys. 1995, 102, 5647.
- (1995) J. Chem. Phys , vol.102 , pp. 5647
- Jordan, M.J.T.¹ Thompson, K.C.² Collins, M.A.³

217
- 33748597134
- Thompson, K. C.; Collins, M. A. J. Chem. Soc., Faraday Trans. 1997, 93, 871.
- (1997) J. Chem. Soc., Faraday Trans , vol.93 , pp. 871
- Thompson, K.C.¹ Collins, M.A.²

218
- 0000004430
- Jordan, M. J. T.; Collins, M. A. J. Chem. Phys. 1996, 104, 4600.
- (1996) J. Chem. Phys , vol.104 , pp. 4600
- Jordan, M.J.T.¹ Collins, M.A.²

219
- 0036882785
- Collins, M. A. Theor. Chem. Acc. 2002, 108, 313.
- (2002) Theor. Chem. Acc , vol.108 , pp. 313
- Collins, M.A.¹

220
- 0001360251
- Collins, M. A. Adv. Chem. Phys. 1996, 93, 389.
- (1996) Adv. Chem. Phys , vol.93 , pp. 389
- Collins, M.A.¹

221
- 0001156344
- Thompson, K. C.; Jordan, M. J. T.; Collins, M. A. J. Chem. Phys. 1998, 108, 8302.
- (1998) J. Chem. Phys , vol.108 , pp. 8302
- Thompson, K.C.¹ Jordan, M.J.T.² Collins, M.A.³

222
- 36849080663
- Takata, T.; Taketsugu, T.; Hirao, K.; Gordon, M. S. J. Chem. Phys. 1998, 109, 4291.
- (1998) J. Chem. Phys , vol.109 , pp. 4291
- Takata, T.¹ Taketsugu, T.² Hirao, K.³ Gordon, M.S.⁴

223
- 0038784639
- Wu, T.; Manthe, U. J. Chem. Phys. 2003, 119, 14.
- (2003) J. Chem. Phys , vol.119 , pp. 14
- Wu, T.¹ Manthe, U.²

224
- 0003759880
- Academic: London
- Lancaster, P.; Salkauskas, K. Curve and Surface Fitting. An Introduction; Academic: London, 1986.
- (1986) Curve and Surface Fitting. An Introduction
- Lancaster, P.¹ Salkauskas, K.²

225
- 0002741368
- Mason, J. C, Cox, M. G, Eds, Clareton Press: Oxford, U.K
- Farnig, R. In Algorithms for Approximation; Mason, J. C., Cox, M. G., Eds.; Clareton Press: Oxford, U.K., 1987; p 194.
- (1987) Algorithms for Approximation , pp. 194
- Farnig, R.¹

226
- 11144349549
- Wu, T.; Werner, H.-J.; Manthe, U. Science 2004, 306, 2227.
- (2004) Science , vol.306 , pp. 2227
- Wu, T.¹ Werner, H.-J.² Manthe, U.³

227
- 34547649279
- Wu, T.; Werner, H.-J.; Manthe, U. J. Chem. Phys. 2006, 124, 164307.
- (2006) J. Chem. Phys , vol.124 , pp. 164307
- Wu, T.¹ Werner, H.-J.² Manthe, U.³

228
- 22944448994
- Huang, X.; Braams, B. J.; Bowman, J. M. J. Chem. Phys. 2005, 122, 44308.
- (2005) J. Chem. Phys , vol.122 , pp. 44308
- Huang, X.¹ Braams, B.J.² Bowman, J.M.³

229
- 20544469622
- Xie, Z.; Braams, B. J.; Bowman, J. M. J. Chem. Phys. 2005, 122, 224307.
- (2005) J. Chem. Phys , vol.122 , pp. 224307
- Xie, Z.¹ Braams, B.J.² Bowman, J.M.³

230
- 30744449956
- Zhang, X.; Braams, B. J.; Bowman, J. M. J. Chem. Phys. 2006, 124, 21104.
- (2006) J. Chem. Phys , vol.124 , pp. 21104
- Zhang, X.¹ Braams, B.J.² Bowman, J.M.³

231
- 33749494120
- Xie, Z.; Bowman, J. M.; Zhang, X. J. Chem Phys. 2006, 125, 133120.
- (2006) J. Chem Phys , vol.125 , pp. 133120
- Xie, Z.¹ Bowman, J.M.² Zhang, X.³

232
- 33748710835
- Xie, Z.; Bowman, J. M. Chem. Phys. Lett. 2006, 429, 355.
- (2006) Chem. Phys. Lett , vol.429 , pp. 355
- Xie, Z.¹ Bowman, J.M.²

233
- 0001477037
- Kim, Y.; Corchado, J. C.; Villa, J.; Xing, J.; Truhlar, D. G. J. Chem. Phys. 2000, 112, 2718.
- (2000) J. Chem. Phys , vol.112 , pp. 2718
- Kim, Y.¹ Corchado, J.C.² Villa, J.³ Xing, J.⁴ Truhlar, D.G.⁵

234
- 0035922555
- Albu, T. V.; Corchado, J. C.; Truhlar, D. G. J. Phys. Chem. A 2001, 105, 8465.
- (2001) J. Phys. Chem. A , vol.105 , pp. 8465
- Albu, T.V.¹ Corchado, J.C.² Truhlar, D.G.³

235
- 2442667811
- Lin, H.; Pu, J.; Albu, T. V.; Truhlar, D. G. J. Phys. Chem. A 2004, 108, 4112.
- (2004) J. Phys. Chem. A , vol.108 , pp. 4112
- Lin, H.¹ Pu, J.² Albu, T.V.³ Truhlar, D.G.⁴

236
- 0003682884
- American Chemical Society: Washington DC
- Gao, J.; Thompson, M. A. Combined Quantum Mechanical and Molecular Mechanical Methods; American Chemical Society: Washington DC, 1999.
- (1999) Combined Quantum Mechanical and Molecular Mechanical Methods
- Gao, J.¹ Thompson, M.A.²

237
- 0036025446
- Gao, J.; Truhlar, D. G. Ann. Rev. Phys. Chem. 2002, 53, 467.
- (2002) Ann. Rev. Phys. Chem , vol.53 , pp. 467
- Gao, J.¹ Truhlar, D.G.²

238
- 33947483877
- Ellison, F. O. J. Am. Chem. Soc. 1963, 85, 3540.
- (1963) J. Am. Chem. Soc , vol.85 , pp. 3540
- Ellison, F.O.¹

239
- 84953661199
- Bläis, N. C.; Truhlar, D. G. J. Chem. Phys. 1973, 58, 1090.
- (1973) J. Chem. Phys , vol.58 , pp. 1090
- Bläis, N.C.¹ Truhlar, D.G.²

240
- 0003568280
- Segal, G. A, Ed, Plenum: New York
- Tully, J. C. In Semiempirical Methods of Electronic Structure Theory, Part A: Techniques; Segal, G. A., Ed.; Plenum: New York, 1977; p 173.
- (1977) Semiempirical Methods of Electronic Structure Theory, Part A: Techniques , pp. 173
- Tully, J.C.¹

241
- 0004122043
- Bernstein, R. B, Ed, Plenum: New York
- Kuntz, P. J. In Atom-Molecule Collision Theory; Bernstein, R. B., Ed.; Plenum: New York, 1979; p 79.
- (1979) Atom-Molecule Collision Theory , pp. 79
- Kuntz, P.J.¹

242
- 0000296492
- Faist, M. B.; Muckerman, J. T. J. Chem. Phys. 1979, 71, 225.
- (1979) J. Chem. Phys , vol.71 , pp. 225
- Faist, M.B.¹ Muckerman, J.T.²

243
- 0043141259
- Warshel, A.; Weiss, R. M. J. Am. Chem. Soc. 1980, 102, 6218.
- (1980) J. Am. Chem. Soc , vol.102 , pp. 6218
- Warshel, A.¹ Weiss, R.M.²

244
- 0003461132
- John Wiley & Sons: New York
- Warshel, A. Computer Modeling of Chemical Reactions in Enzymes and Solutions; John Wiley & Sons: New York, 1991.
- (1991) Computer Modeling of Chemical Reactions in Enzymes and Solutions
- Warshel, A.¹

245
- 4243810035
- Aaqvist, J.; Warshel, A. Chem. Rev. 1993, 93, 2523.
- (1993) Chem. Rev , vol.93 , pp. 2523
- Aaqvist, J.¹ Warshel, A.²

246
- 36849029651
- Aaqvist, J. In Computational Approaches to Biochemical Reactivity; Naray-Szabo, G., Warshel, A., Eds.; Understanding Chemical Reactivity; Kluwer Academic: Dordrecht, The Netherlands, 1997; 19, p 341.
- Aaqvist, J. In Computational Approaches to Biochemical Reactivity; Naray-Szabo, G., Warshel, A., Eds.; Understanding Chemical Reactivity; Kluwer Academic: Dordrecht, The Netherlands, 1997; Vol. 19, p 341.

247
- 0041411363
- Kolmodin, K.; Hansson, T.; Danielsson, J.; Aqvist, J. ACS Symp. Ser. 1999, 721, 370.
- (1999) ACS Symp. Ser , vol.721 , pp. 370
- Kolmodin, K.¹ Hansson, T.² Danielsson, J.³ Aqvist, J.⁴

248
- 0542375277
- Chang, Y. T.; Miller, W. H. J. Phys. Chem. 1990, 94, 5884.
- (1990) J. Phys. Chem , vol.94 , pp. 5884
- Chang, Y.T.¹ Miller, W.H.²

249
- 33846190830
- Chang, Y. T.; Minichino, C.; Miller, W. H. J. Chem. Phys. 1992, 96, 4341.
- (1992) J. Chem. Phys , vol.96 , pp. 4341
- Chang, Y.T.¹ Minichino, C.² Miller, W.H.³

250
- 36449008542
- Jackels, C. F.; Gu, Z.; Truhlar, D. G. J. Chem. Phys. 1995, 102, 3188.
- (1995) J. Chem. Phys , vol.102 , pp. 3188
- Jackels, C.F.¹ Gu, Z.² Truhlar, D.G.³

251
- 0001748868
- Nguyen, K. A.; Jackels, C. F.; Truhlar, D. G. J. Chem. Phys. 1996, 104, 6491.
- (1996) J. Chem. Phys , vol.104 , pp. 6491
- Nguyen, K.A.¹ Jackels, C.F.² Truhlar, D.G.³

252
- 0031673117
- Chuang, Y.-Y.; Truhlar, D. G. J. Phys. Chem. A 1998, 102, 242.
- (1998) J. Phys. Chem. A , vol.102 , pp. 242
- Chuang, Y.-Y.¹ Truhlar, D.G.²

253
- 36148982195
- Nguyen, K. A.; Rossi, I.; Truhlar, D. G. J. Chem. Phys. 1995, 103, 5522.
- (1995) J. Chem. Phys , vol.103 , pp. 5522
- Nguyen, K.A.¹ Rossi, I.² Truhlar, D.G.³

254
- 33846309628
- Lin, H.; Zhao, Y.; Tishchenko, O.; Truhlar, D. G. J. Chem. Theory Comput. 2006, 2, 1237.
- (2006) J. Chem. Theory Comput , vol.2 , pp. 1237
- Lin, H.¹ Zhao, Y.² Tishchenko, O.³ Truhlar, D.G.⁴

255
- 33846683874
- Tishchenko, O.; Truhlar, D. G. J. Phys. Chem A 2006, 110, 13530.
- (2006) J. Phys. Chem A , vol.110 , pp. 13530
- Tishchenko, O.¹ Truhlar, D.G.²

256
- 36148950156
- Tishchenko, O.; Truhlar, D. G. J. Chem. Theory Comput. 2007, 3, 938.
- (2007) J. Chem. Theory Comput , vol.3 , pp. 938
- Tishchenko, O.¹ Truhlar, D.G.²

257
- 0037118377
- Truhlar, D. G. J. Phys. Chem. A 2002, 106, 5048.
- (2002) J. Phys. Chem. A , vol.106 , pp. 5048
- Truhlar, D.G.¹

258
- 0002646601
- Daudet, R, Pullman, B, Eds, Reidel: Dordrecht, The Netherlands
- Fukui, K. In The World of Quantum Chemistry; Daudet, R., Pullman, B., Eds.; Reidel: Dordrecht, The Netherlands, 1974; p 113.
- (1974) The World of Quantum Chemistry , pp. 113
- Fukui, K.¹

259
- 0002735664
- Fukui, K.; Kato, S.; Fujimoto, H. J. Am. Chem. Soc. 1975, 97, 1.
- (1975) J. Am. Chem. Soc , vol.97 , pp. 1
- Fukui, K.¹ Kato, S.² Fujimoto, H.³

260
- 33751044609
- Fukui, K. Acc. Chem. Res. 1981, 14, 363.
- (1981) Acc. Chem. Res , vol.14 , pp. 363
- Fukui, K.¹

261
- 36849098681
- Marcus, R. A. J. Chem. Phys. 1966, 45, 4493.
- (1966) J. Chem. Phys , vol.45 , pp. 4493
- Marcus, R.A.¹

262
- 36849115250
- Marcus, R. A. J. Chem. Phys. 1968, 49, 2610.
- (1968) J. Chem. Phys , vol.49 , pp. 2610
- Marcus, R.A.¹

263
- 0000812017
- Shavitt, I.; Stevens, R. M.; Minn, F.; Karplus, M. J. Chem. Phys. 1968, 48, 2700.
- (1968) J. Chem. Phys , vol.48 , pp. 2700
- Shavitt, I.¹ Stevens, R.M.² Minn, F.³ Karplus, M.⁴

264
- 33947293427
- Truhlar, D. G.; Kuppermann, A. J. Am. Chem. Soc. 1971, 93, 1840.
- (1971) J. Am. Chem. Soc , vol.93 , pp. 1840
- Truhlar, D.G.¹ Kuppermann, A.²

265
- 0642288734
- Garrett, B. C.; Truhlar, D. G. J. Phys. Chem. 1979, 83, 1079.
- (1979) J. Phys. Chem , vol.83 , pp. 1079
- Garrett, B.C.¹ Truhlar, D.G.²

266
- 0004465903
- Fukui, K. J. Phys. Chem. 1970, 74, 4161.
- (1970) J. Phys. Chem , vol.74 , pp. 4161
- Fukui, K.¹

267
- 0028546237
- Page, M. Comput. Phys. Commun. 1994, 84, 115.
- (1994) Comput. Phys. Commun , vol.84 , pp. 115
- Page, M.¹

268
- 36749120357
- Miller, W. H.; Handy, N. C.; Adams, J. E. J. Chem. Phys. 1980, 72, 99.
- (1980) J. Chem. Phys , vol.72 , pp. 99
- Miller, W.H.¹ Handy, N.C.² Adams, J.E.³

269
- 84941374487
- Hofacker, L. Z. Naturforsch., A 1963, 18, 607.
- (1963) Z. Naturforsch., A , vol.18 , pp. 607
- Hofacker, L.¹

270
- 36849003278
- Marcus, R. A. Discuss. Faraday Soc. 1967, 44, 7.
- (1967) Discuss. Faraday Soc , vol.44 , pp. 7
- Marcus, R.A.¹

271
- 36749113886
- Isaacson, A. D.; Truhlar, D. G. J. Chem. Phys. 1982, 76, 1380.
- (1982) J. Chem. Phys , vol.76 , pp. 1380
- Isaacson, A.D.¹ Truhlar, D.G.²

272
- 84951897036
- The Theory of Chemical Reaction Dynamics
- Clary, D. C, Ed, Reidel: Dordrecht, The Netherlands, 170, p
- Miller, W. H. In The Theory of Chemical Reaction Dynamics; Clary, D. C., Ed.; NATO ASI Series C; Reidel: Dordrecht, The Netherlands, 1986; Vol. 170, p 27.
- (1986) NATO ASI Series , vol.100 , pp. 27
- Miller, W.H.¹

273
- 33846222166
- Melissas, V. S.; Truhlar, D. G.; Garrett, B. C. J. Chem. Phys. 1992, 96, 5758.
- (1992) J. Chem. Phys , vol.96 , pp. 5758
- Melissas, V.S.¹ Truhlar, D.G.² Garrett, B.C.³

274
- 0346496800
- Garrett, B. C.; Redmon, M. J.; Steckler, R.; Truhlar, D. G.; Baldridge, K. K.; Bartol, D.; Schmidt, M. W.; Gordon, M. S. J. Phys. Chem. 1988, 92, 1476.
- (1988) J. Phys. Chem , vol.92 , pp. 1476
- Garrett, B.C.¹ Redmon, M.J.² Steckler, R.³ Truhlar, D.G.⁴ Baldridge, K.K.⁵ Bartol, D.⁶ Schmidt, M.W.⁷ Gordon, M.S.⁸

275
- 36549103570
- Page, M.; McIver, J. W., Jr. J. Chem. Phys. 1988, 88, 922.
- (1988) J. Chem. Phys , vol.88 , pp. 922
- Page, M.¹ McIver Jr., J.W.²

276
- 36549095692
- Gonzalez, C.; Schlegel, H. B. J. Chem. Phys. 1989, 90, 2154.
- (1989) J. Chem. Phys , vol.90 , pp. 2154
- Gonzalez, C.¹ Schlegel, H.B.²

277
- 33750614386
- Gonzalez, C.; Schlegel, H. B. J. Phys. Chem. 1990, 94, 5523.
- (1990) J. Phys. Chem , vol.94 , pp. 5523
- Gonzalez, C.¹ Schlegel, H.B.²

278
- 0242323120
- Schaefer, H. F, III, Ed, Plenum Press: New York
- Pulay, P. In Applications of Electronic Structure Theory; Schaefer, H. F., III, Ed.; Plenum Press: New York, 1977; p 153.
- (1977) Applications of Electronic Structure Theory , pp. 153
- Pulay, P.¹

279
- 0342415826
- McIver, J. W., Jr.; Komornicki, A. J. Am. Chem. Soc. 1972, 94, 2625.
- (1972) J. Am. Chem. Soc , vol.94 , pp. 2625
- McIver Jr., J.W.¹ Komornicki, A.²

280
- 0000087564
- McIver, J. W., Jr.; Komornicki, A. Chem. Phys. Lett. 1971, 10, 303.
- (1971) Chem. Phys. Lett , vol.10 , pp. 303
- McIver Jr., J.W.¹ Komornicki, A.²

281
- 84987100611
- Pople, J. A.; Krishnan, R.; Schlegel, H. B.; Binkley, J. S. Int. J. Quantum Chem. Symp. 1979, 13, 225.
- (1979) Int. J. Quantum Chem. Symp , vol.13 , pp. 225
- Pople, J.A.¹ Krishnan, R.² Schlegel, H.B.³ Binkley, J.S.⁴

282
- 84983920787
- Pople, J. A.; Schlegel, H. B.; Krishnan, R.; Defrees, D. J.; Binkley, J. S.; Frisch, M. J.; Whiteside, R. A.; Hout, R. F.; Hehre, W. J. Int. J. Quantum Chem. Symp. 1981, 15, 269.
- (1981) Int. J. Quantum Chem. Symp , vol.15 , pp. 269
- Pople, J.A.¹ Schlegel, H.B.² Krishnan, R.³ Defrees, D.J.⁴ Binkley, J.S.⁵ Frisch, M.J.⁶ Whiteside, R.A.⁷ Hout, R.F.⁸ Hehre, W.J.⁹

283
- 36849113883
- Garratt, J.; Mills, I. M. J. Chem. Phys. 1968, 49, 1719.
- (1968) J. Chem. Phys , vol.49 , pp. 1719
- Garratt, J.¹ Mills, I.M.²

284
- 36549092414
- Handy, N. C.; Schaefer, H. F., III J. Chem. Phys. 1984, 81, 5031.
- (1984) J. Chem. Phys , vol.81 , pp. 5031
- Handy, N.C.¹ Schaefer III, H.F.²

285
- 36549096676
- Hoffmann, M. R.; Fox, D. J.; Gaw, J. F.; Osamura, Y.; Yamaguchi, Y.; Grev, R. S.; Fitzgerald, G.; Schaefer, H. F., III; Knowles, P. J.; Handy, N. C. J. Chem. Phys. 1984, 80, 2660.
- (1984) J. Chem. Phys , vol.80 , pp. 2660
- Hoffmann, M.R.¹ Fox, D.J.² Gaw, J.F.³ Osamura, Y.⁴ Yamaguchi, Y.⁵ Grev, R.S.⁶ Fitzgerald, G.⁷ Schaefer III, H.F.⁸ Knowles, P.J.⁹ Handy, N.C.¹⁰

286
- 0347661058
- Fischer, S. F.; Hofacker, G. L.; Seiler, R. J. Chem. Phys. 1969, 51, 3951.
- (1969) J. Chem. Phys , vol.51 , pp. 3951
- Fischer, S.F.¹ Hofacker, G.L.² Seiler, R.³

287
- 0001674168
- Garrett, B. C.; Truhlar, D. G. J. Chem. Phys. 1979, 70, 1593.
- (1979) J. Chem. Phys , vol.70 , pp. 1593
- Garrett, B.C.¹ Truhlar, D.G.²

288
- 26444555399
- Taketsugu, T.; Gordon, M. S. J. Chem. Phys. 1996, 104, 2834.
- (1996) J. Chem. Phys , vol.104 , pp. 2834
- Taketsugu, T.¹ Gordon, M.S.²

289
- 0031070002
- Konkoli, Z.; Kraka, E.; Cremer, D. J. Phys. Chem. A 1997, 101, 1742.
- (1997) J. Phys. Chem. A , vol.101 , pp. 1742
- Konkoli, Z.¹ Kraka, E.² Cremer, D.³

290
- 0000770553
- Konkoli, Z.; Cremer, D.; Kraka, E. J. Comput. Chem. 1997, 18, 1282.
- (1997) J. Comput. Chem , vol.18 , pp. 1282
- Konkoli, Z.¹ Cremer, D.² Kraka, E.³

291
- 0001873573
- Konkoh, Z.; Cremer, D. Int. J. Quantum Chem. 1998, 67, 1.
- (1998) Int. J. Quantum Chem , vol.67 , pp. 1
- Konkoh, Z.¹ Cremer, D.²

292
- 0002265006
- Konkoli, Z.; Larsson, J. A.; Cremer, D. Int. J. Quantum Chem. 1998, 67, 11.
- (1998) Int. J. Quantum Chem , vol.67 , pp. 11
- Konkoli, Z.¹ Larsson, J.A.² Cremer, D.³

293
- 0002530424
- Konkoli, Z.; Cremer, D. Int. J. Quantum Chem. 1998, 67, 29.
- (1998) Int. J. Quantum Chem , vol.67 , pp. 29
- Konkoli, Z.¹ Cremer, D.²

294
- 0001915408
- Konkoli, Z.; Larsson, J. A.; Cremer, D. Int. J. Quantum Chem. 1998, 67, 41.
- (1998) Int. J. Quantum Chem , vol.67 , pp. 41
- Konkoli, Z.¹ Larsson, J.A.² Cremer, D.³

295
- 0034702647
- Okuno, Y. J. Chem. Phys. 2000, 113, 3130.
- (2000) J. Chem. Phys , vol.113 , pp. 3130
- Okuno, Y.¹

296
- 0034702701
- Okuno, Y.; Yokoyama, S.; Mashiko, S. J. Chem. Phys. 2000, 113, 3136.
- (2000) J. Chem. Phys , vol.113 , pp. 3136
- Okuno, Y.¹ Yokoyama, S.² Mashiko, S.³

297
- 0036805824
- Natanson, G. J. Chem Phys. 2002, 117, 6378.
- (2002) J. Chem Phys , vol.117 , pp. 6378
- Natanson, G.¹

298
- 0036533882
- Billing, G. D. Chem. Phys. 2002, 277, 325.
- (2002) Chem. Phys , vol.277 , pp. 325
- Billing, G.D.¹

299
- 0002039609
- Garrett, B. C.; Truhlar, D. G. J. Chem. Phys. 1984, 81, 309.
- (1984) J. Chem. Phys , vol.81 , pp. 309
- Garrett, B.C.¹ Truhlar, D.G.²

300
- 0001247977
- Truhlar, D. G.; Garrett, B. C.; Hipes, P. G.; Kuppermann, A. J. Chem. Phys. 1984, 81, 3542.
- (1984) J. Chem. Phys , vol.81 , pp. 3542
- Truhlar, D.G.¹ Garrett, B.C.² Hipes, P.G.³ Kuppermann, A.⁴

301
- 0003767850
- Baer, M, Ed, CRC Press: Boca Raton, FL
- Truhlar, D. G.; Isaacson, A. D.; Garrett, B. C. In Theory of Chemical Reaction Dynamics; Baer, M., Ed.; CRC Press: Boca Raton, FL, 1985; p 65.
- (1985) Theory of Chemical Reaction Dynamics , pp. 65
- Truhlar, D.G.¹ Isaacson, A.D.² Garrett, B.C.³

302
- 0001863950
- Investigation of Rates and Mechanisms of Reactions
- 4th ed, Bernasconi, C. F, Ed, John Wiley & Sons, Inc, New York
- Kreevoy, M. M.; Truhlar, D. G. In Investigation of Rates and Mechanisms of Reactions, 4th ed.; Bernasconi, C. F., Ed.; Techniques of Chemistry Series 6; John Wiley & Sons, Inc.: New York, 1986; Part 1, p 13.
- (1986) Techniques of Chemistry Series , vol.6 , Issue.PART 1 , pp. 13
- Kreevoy, M.M.¹ Truhlar, D.G.²

303
- 0030218764
- Truhlar, D. G.; Garrett, B. C.; Klippenstein, S. J. J. Phys. Chem. 1996, 100, 12771.
- (1996) J. Phys. Chem , vol.100 , pp. 12771
- Truhlar, D.G.¹ Garrett, B.C.² Klippenstein, S.J.³

304
- 0000674373
- Garrett, B. C.; Truhlar, D. G.; Grev, R. S.; Magnuson, A. W. J. Phys. Chem. 1980, 84, 1730.
- (1980) J. Phys. Chem , vol.84 , pp. 1730
- Garrett, B.C.¹ Truhlar, D.G.² Grev, R.S.³ Magnuson, A.W.⁴

305
- 33847085308
- Truhlar, D. G.; Garrett, B. C. Acc. Chem. Res. 1980, 13, 440.
- (1980) Acc. Chem. Res , vol.13 , pp. 440
- Truhlar, D.G.¹ Garrett, B.C.²

306
- 67149143279
- Lipkowitz, K. B, Cundari, T. R, Eds, Wiley-VCH: Hoboken, NJ
- Fernandez-Ramos, A.; Ellingson, B. A.; Garrett, B. C.; Truhlar, D. G. In Reviews in Computational Chemistry; Lipkowitz, K. B., Cundari, T. R., Eds.; Wiley-VCH: Hoboken, NJ, 2007; Vol. 23, p 125.
- (2007) Reviews in Computational Chemistry , vol.23 , pp. 125
- Fernandez-Ramos, A.¹ Ellingson, B.A.² Garrett, B.C.³ Truhlar, D.G.⁴

307
- 0003617193
- McGraw-Hill: New York
- Glasstone, S.; Laidler, K. J.; Eyring, H. The Theory of Rate Processes. The Kinetics of Chemical Reactions, Viscosity, Diffusion and Electrochemical Phenomena; McGraw-Hill: New York, 1941.
- (1941) The Theory of Rate Processes. The Kinetics of Chemical Reactions, Viscosity, Diffusion and Electrochemical Phenomena
- Glasstone, S.¹ Laidler, K.J.² Eyring, H.³

308
- 31544477996
- Isaacson, A. D. J. Phys. Chem. A 2006, 110, 379.
- (2006) J. Phys. Chem. A , vol.110 , pp. 379
- Isaacson, A.D.¹

309
- 0345382610
- Masgrau, L.; Gonzalez-Lafont, A.; Lluch, J. M. J. Comput. Chem. 2003, 24, 701.
- (2003) J. Comput. Chem , vol.24 , pp. 701
- Masgrau, L.¹ Gonzalez-Lafont, A.² Lluch, J.M.³

310
- 31544443285
- Vansteenkiste, P.; Van Neck, D.; Van Speybroeck, V.; Waroquier, M. J. Chem. Phys. 2006, 124, 44314.
- (2006) J. Chem. Phys , vol.124 , pp. 44314
- Vansteenkiste, P.¹ Van Neck, D.² Van Speybroeck, V.³ Waroquier, M.⁴

311
- 33746824972
- Vansteenkiste, P.; Van Neck, D.; Van Speybroeck, V.; Waroquier, M. J. Chem. Phys. 2006, 125, 49902.
- (2006) J. Chem. Phys , vol.125 , pp. 49902
- Vansteenkiste, P.¹ Van Neck, D.² Van Speybroeck, V.³ Waroquier, M.⁴

312
- 36849069796
- in press
- Ellingson, B. A.; Pu, J.; Lin, H.; Zhao, Y.; Truhlar, D. G. J. Phys. Chem. A, in press.
- J. Phys. Chem. A
- Ellingson, B.A.¹ Pu, J.² Lin, H.³ Zhao, Y.⁴ Truhlar, D.G.⁵

313
- 0026914573
- Lu, D.-h.; Truong, T. N.; Melissas, V. S.; Lynch, G. C.; Liu, Y.-P.; Garrett, B. C.; Steckler, R.; Isaacson, A. D.; Rai, S. N.; Hancock, G. C.; Lauderdale, J. G.; Joseph, T.; Truhlar, D. G. Comput. Phys. Commun. 1992, 71, 235.
- (1992) Comput. Phys. Commun , vol.71 , pp. 235
- Lu, D.-H.¹ Truong, T.N.² Melissas, V.S.³ Lynch, G.C.⁴ Liu, Y.-P.⁵ Garrett, B.C.⁶ Steckler, R.⁷ Isaacson, A.D.⁸ Rai, S.N.⁹ Hancock, G.C.¹⁰ Lauderdale, J.G.¹¹ Joseph, T.¹² Truhlar, D.G.¹³

314
- 79954585410
- Liu, Y. P.; Lynch, G. C.; Truong, T. N.; Lu, D. H.; Truhlar, D. G.; Garrett, B. C. J. Am. Chem. Soc. 1993, 115, 2408.
- (1993) J. Am. Chem. Soc , vol.115 , pp. 2408
- Liu, Y.P.¹ Lynch, G.C.² Truong, T.N.³ Lu, D.H.⁴ Truhlar, D.G.⁵ Garrett, B.C.⁶

315
- 0027577788
- Truong, T. N.; Lu, D.-h.; Lynch, G. C.; Liu, Y.-P.; Melissas, V. S.; Stewart, J. J. P.; Steckler, R.; Garrett, B. C.; Isaacson, A. D.; Gonzalez-Lafont, A.; Rai, S. N.; Hancock, G. C.; Joseph, T.; Truhlar, D. G. Comput. Phys. Commun. 1993, 75, 143.
- (1993) Comput. Phys. Commun , vol.75 , pp. 143
- Truong, T.N.¹ Lu, D.-H.² Lynch, G.C.³ Liu, Y.-P.⁴ Melissas, V.S.⁵ Stewart, J.J.P.⁶ Steckler, R.⁷ Garrett, B.C.⁸ Isaacson, A.D.⁹ Gonzalez-Lafont, A.¹⁰ Rai, S.N.¹¹ Hancock, G.C.¹² Joseph, T.¹³ Truhlar, D.G.¹⁴

316
- 0035105258
- Fernandez-Ramos, A.; Trublar, D. G. J. Chem. Phys. 2001, 114, 1491.
- (2001) J. Chem. Phys , vol.114 , pp. 1491
- Fernandez-Ramos, A.¹ Trublar, D.G.²

317
- 33845559118
- Garrett, B. C.; Truhlar, D. G. J. Phys. Chem. 1979, 83, 2921.
- (1979) J. Phys. Chem , vol.83 , pp. 2921
- Garrett, B.C.¹ Truhlar, D.G.²

318
- 36849001150
- Fernandez-Ramos, A.; Martinez-Nunez, E.; Smedarchina, Z.; Vazquez, S. A. Chem. Phys. Lett. 2001, 341, 151.
- (2001) Chem. Phys. Lett , vol.341 , pp. 151
- Fernandez-Ramos, A.¹ Martinez-Nunez, E.² Smedarchina, Z.³ Vazquez, S.A.⁴

319
- 36849129194
- Karplus, M.; Porter, R. N.; Sharma, R. D. J. Chem. Phys. 1965, 43, 3259.
- (1965) J. Chem. Phys , vol.43 , pp. 3259
- Karplus, M.¹ Porter, R.N.² Sharma, R.D.³

320
- 0004122043
- Bernstein, R. B, Ed, Plenum Press: New York
- Truhlar, D. G.; Muckerman, J. T. In Atom-Molecule Collision Theory: A Guide to the Experimentalist; Bernstein, R. B., Ed.; Plenum Press: New York, 1979; p 505.
- (1979) Atom-Molecule Collision Theory: A Guide to the Experimentalist , pp. 505
- Truhlar, D.G.¹ Muckerman, J.T.²

321
- 0031551540
- Bonnet, L.; Rayez, J. C. Chem. Phys. Lett. 1997, 277, 183.
- (1997) Chem. Phys. Lett , vol.277 , pp. 183
- Bonnet, L.¹ Rayez, J.C.²

322
- 7444260796
- Bonnet, L.; Rayez, J.-C. Chem. Phys. Lett. 2004, 397, 106.
- (2004) Chem. Phys. Lett , vol.397 , pp. 106
- Bonnet, L.¹ Rayez, J.-C.²

323
- 33847751129
- Gonzalez-Martinez, M. L.; Bonnet, L.; Larregaray, P.; Rayez, J. C. J. Chem. Phys. 2007, 126, 041102/1.
- (2007) J. Chem. Phys , vol.126 , pp. 041102-041101
- Gonzalez-Martinez, M.L.¹ Bonnet, L.² Larregaray, P.³ Rayez, J.C.⁴

324
- 84892918856
- Alimi, R.; Garcia-Vela, A.; Gerber, R. B. J. Chem. Phys. 1992, 96, 2034.
- (1992) J. Chem. Phys , vol.96 , pp. 2034
- Alimi, R.¹ Garcia-Vela, A.² Gerber, R.B.³

325
- 0003108507
- Eaker, C. W.; Schwenke, D. W. J. Chem. Phys. 1995, 103, 6984.
- (1995) J. Chem. Phys , vol.103 , pp. 6984
- Eaker, C.W.¹ Schwenke, D.W.²

326
- 0001677889
- Guo, Y.; Thompson, D. L.; Sewell, T. D. J. Chem. Phys. 1996, 104, 576.
- (1996) J. Chem. Phys , vol.104 , pp. 576
- Guo, Y.¹ Thompson, D.L.² Sewell, T.D.³

327
- 0001012189
- McCormack, D. A.; Lim, K. F. J. Chem. Phys. 1997, 106, 572.
- (1997) J. Chem. Phys , vol.106 , pp. 572
- McCormack, D.A.¹ Lim, K.F.²

328
- 0003854825
- Thompson, D. L, Ed, World Scientific: Singapore
- Schatz, G. C.; Horst, M. T.; Takayanagi, T. In Modern Methods for Multidimensional Dynamics Computations in Chemistry; Thompson, D. L., Ed.; World Scientific: Singapore, 1998; p 1.
- (1998) Modern Methods for Multidimensional Dynamics Computations in Chemistry , pp. 1
- Schatz, G.C.¹ Horst, M.T.² Takayanagi, T.³

329
- 0033039814
- McCormack, D. A.; Lim, K. F. Phys. Chem. Chem. Phys. 1999, 1, 1.
- (1999) Phys. Chem. Chem. Phys , vol.1 , pp. 1
- McCormack, D.A.¹ Lim, K.F.²

330
- 33646411244
- Xie, Z.; Bowman, J. M. J. Phys. Chem. A 2006, 110, 5446.
- (2006) J. Phys. Chem. A , vol.110 , pp. 5446
- Xie, Z.¹ Bowman, J.M.²

331
- 0004489170
- Truhlar, D. G, Ed, Springer-Verlag: New York
- Kouri, D. J.; Sun, Y.; Mowrey, J. Z.; Zhang, H.; Truhlar, D. G.; Haug, K.; Schwenke, D. W. In Mathematical Frontiers in Computational Chemical Physics; Truhlar, D. G., Ed.; Springer-Verlag: New York, 1988; p 207.
- (1988) Mathematical Frontiers in Computational Chemical Physics , pp. 207
- Kouri, D.J.¹ Sun, Y.² Mowrey, J.Z.³ Zhang, H.⁴ Truhlar, D.G.⁵ Haug, K.⁶ Schwenke, D.W.⁷

332
- 36749107073
- Light, J. C.; Walker, R. B. J. Chem. Phys. 1976, 65, 4272.
- (1976) J. Chem. Phys , vol.65 , pp. 4272
- Light, J.C.¹ Walker, R.B.²

333
- 33751553311
- Truhlar, D. G.; Schwenke, D. W.; Kouri, D. J. J. Phys. Chem. 1990, 94, 7346.
- (1990) J. Phys. Chem , vol.94 , pp. 7346
- Truhlar, D.G.¹ Schwenke, D.W.² Kouri, D.J.³

334
- 36449006125
- Zhang, D. H.; Zhang, J. Z. H. J. Chem. Phys. 1994, 101, 1146.
- (1994) J. Chem. Phys , vol.101 , pp. 1146
- Zhang, D.H.¹ Zhang, J.Z.H.²

335
- 36749105387
- Zarur, G.; Rabitz, H. J. Chem. Phys. 1974, 60, 2057.
- (1974) J. Chem. Phys , vol.60 , pp. 2057
- Zarur, G.¹ Rabitz, H.²

336
- 36449003757
- Clary, D. C.; Schatz, G. C. J. Chem. Phys. 1993, 99, 4578.
- (1993) J. Chem. Phys , vol.99 , pp. 4578
- Clary, D.C.¹ Schatz, G.C.²

337
- 0000420929
- Palma, J.; Clary, D. C. J. Chem. Phys. 2000, 112, 1859.
- (2000) J. Chem. Phys , vol.112 , pp. 1859
- Palma, J.¹ Clary, D.C.²

338
- 33144484711
- Kerkeni, B.; Clary, D. C. Phys. Chem. Chem. Phys. 2006, 8, 917.
- (2006) Phys. Chem. Chem. Phys , vol.8 , pp. 917
- Kerkeni, B.¹ Clary, D.C.²

339
- 0001222359
- Yamamoto, T. J. Chem. Phys. 1960, 33, 281.
- (1960) J. Chem. Phys , vol.33 , pp. 281
- Yamamoto, T.¹

340
- 36749118190
- Miller, W. H. J. Chem. Phys. 1974, 61, 1823.
- (1974) J. Chem. Phys , vol.61 , pp. 1823
- Miller, W.H.¹

341
- 34247644275
- Marcus, R. A. J. Chem. Phys. 1966, 45, 2138.
- (1966) J. Chem. Phys , vol.45 , pp. 2138
- Marcus, R.A.¹

342
- 0001156671
- Greene, E. F.; Kuppermann, A. J. Chem. Educ. 1968, 45, 361.
- (1968) J. Chem. Educ , vol.45 , pp. 361
- Greene, E.F.¹ Kuppermann, A.²

343
- 0001328299
- Takayanagi, T. J. Chem. Phys. 1996, 104, 2237.
- (1996) J. Chem. Phys , vol.104 , pp. 2237
- Takayanagi, T.¹

344
- 0001369574
- Yu, H.-G.; Nyman, G. J. Chem. Phys. 1999, 111, 3508.
- (1999) J. Chem. Phys , vol.111 , pp. 3508
- Yu, H.-G.¹ Nyman, G.²

345
- 0034246743
- Wang, M. L.; Li, Y.; Zhang, J. Z. H.; Zhang, D. H. J. Chem. Phys. 2000, 113, 1802.
- (2000) J. Chem. Phys , vol.113 , pp. 1802
- Wang, M.L.¹ Li, Y.² Zhang, J.Z.H.³ Zhang, D.H.⁴

346
- 0037091252
- Wang, M.; Zhang, J. Z. H. J. Chem. Phys. 2002, 116, 6497.
- (2002) J. Chem. Phys , vol.116 , pp. 6497
- Wang, M.¹ Zhang, J.Z.H.²

347
- 0037045186
- Wang, M. L.; Zhang, J. Z. H. J. Chem. Phys. 2002, 117, 10425.
- (2002) J. Chem. Phys , vol.117 , pp. 10425
- Wang, M.L.¹ Zhang, J.Z.H.²

348
- 0037103815
- Wang, M. L.; Zhang, J. Z. H. J. Chem. Phys. 2002, 117, 3081.
- (2002) J. Chem. Phys , vol.117 , pp. 3081
- Wang, M.L.¹ Zhang, J.Z.H.²

349
- 0037045192
- Wang, M. L.; Zhang, J. Z. H. J. Chem. Phys. 2002, 117, 10426.
- (2002) J. Chem. Phys , vol.117 , pp. 10426
- Wang, M.L.¹ Zhang, J.Z.H.²

350
- 0035423993
- Wang, D.; Bowman, J. M. J. Chem. Phys. 2001, 115, 2055.
- (2001) J. Chem. Phys , vol.115 , pp. 2055
- Wang, D.¹ Bowman, J.M.²

351
- 0038736631
- Li, Y. M.; Zhang, J. Z. H. J. Theor. Comput. Chem. 2002, 1, 25.
- (2002) J. Theor. Comput. Chem , vol.1 , pp. 25
- Li, Y.M.¹ Zhang, J.Z.H.²

352
- 0036026621
- Bowman, J. M. Theor. Chem. Acc. 2002, 108, 125.
- (2002) Theor. Chem. Acc , vol.108 , pp. 125
- Bowman, J.M.¹

353
- 0043152470
- Mortensen, E. M.; Pitzer, K. S. Chem. Soc. (London) Spec. Publ. 1962, (16), 57.
- (1962) Chem. Soc. (London) Spec. Publ , vol.16 , pp. 57
- Mortensen, E.M.¹ Pitzer, K.S.²

354
- 0007867089
- Mortensen, E. M. J. Chem. Phys. 1968, 48, 4029.
- (1968) J. Chem. Phys , vol.48 , pp. 4029
- Mortensen, E.M.¹

355
- 0018703045
- Garrett, B. C.; Truhlar, D. G. Proc. Natl. Acad. Sci. U.S.A. 1979, 76, 4755.
- (1979) Proc. Natl. Acad. Sci. U.S.A , vol.76 , pp. 4755
- Garrett, B.C.¹ Truhlar, D.G.²

356
- 0004406413
- Bowman, J. M.; Ju, G. Z.; Lee, K. T. J. Chem. Phys. 1981, 75, 5199.
- (1981) J. Chem. Phys , vol.75 , pp. 5199
- Bowman, J.M.¹ Ju, G.Z.² Lee, K.T.³

357
- 0037068867
- Palma, J.; Echave, J.; Clary, D. C. J. Phys. Chem. A 2002, 106, 8256.
- (2002) J. Phys. Chem. A , vol.106 , pp. 8256
- Palma, J.¹ Echave, J.² Clary, D.C.³

358
- 0036905374
- Yang, M.; Zhang, D. H.; Lee, S.-Y. J. Chem. Phys. 2002, 117, 9539.
- (2002) J. Chem. Phys , vol.117 , pp. 9539
- Yang, M.¹ Zhang, D.H.² Lee, S.-Y.³

359
- 0346255396
- Kerkeni, B.; Clary, D. C. J. Phys. Chem. A 2003, 107, 10851.
- (2003) J. Phys. Chem. A , vol.107 , pp. 10851
- Kerkeni, B.¹ Clary, D.C.²

360
- 7044271167
- Kerkeni, B.; Clary, D. C. J. Phys. Chem. A 2004, 108, 8966.
- (2004) J. Phys. Chem. A , vol.108 , pp. 8966
- Kerkeni, B.¹ Clary, D.C.²

361
- 33645845673
- Kerkeni, B.; Clary, D. C. Chem. Phys. Lett. 2006, 421, 499.
- (2006) Chem. Phys. Lett , vol.421 , pp. 499
- Kerkeni, B.¹ Clary, D.C.²

362
- 0037159397
- Szichman, H.; Baer, R. J. Chem. Phys. 2002, 117, 7614.
- (2002) J. Chem. Phys , vol.117 , pp. 7614
- Szichman, H.¹ Baer, R.²

363
- 0343434668
- Haug, K.; Schwerike, D. W.; Shima, Y.; Truhlar, D. G.; Zhang, J.; Kouri, D. J. J. Phys. Chem. 1986, 90, 6757.
- (1986) J. Phys. Chem , vol.90 , pp. 6757
- Haug, K.¹ Schwerike, D.W.² Shima, Y.³ Truhlar, D.G.⁴ Zhang, J.⁵ Kouri, D.J.⁶

364
- 0037084437
- Huarte-Larrañaga, F.; Manthe, U. J. Chem. Phys. 2002, 116, 2863.
- (2002) J. Chem. Phys , vol.116 , pp. 2863
- Huarte-Larrañaga, F.¹ Manthe, U.²

365
- 33847608701
- van Harrevelt, R.; Nyman, G.; Mantbe, U. J. Chem. Phys. 2007, 126, 84303.
- (2007) J. Chem. Phys , vol.126 , pp. 84303
- van Harrevelt, R.¹ Nyman, G.² Mantbe, U.³

366
- 0002053823
- Meyer, H. D.; Manthe, U.; Cederbaum, L. S. Chem. Phys. Lett. 1990, 165, 73.
- (1990) Chem. Phys. Lett , vol.165 , pp. 73
- Meyer, H.D.¹ Manthe, U.² Cederbaum, L.S.³

367
- 0000365823
- Manthe, U.; Meyer, H. D.; Cederbaum, L. S. J. Chem. Phys. 1992, 97, 3199.
- (1992) J. Chem. Phys , vol.97 , pp. 3199
- Manthe, U.¹ Meyer, H.D.² Cederbaum, L.S.³

368
- 33749603047
- Manthe, U. Chem. Phys. 2006, 329, 168.
- (2006) Chem. Phys , vol.329 , pp. 168
- Manthe, U.¹

369
- 0038250890
- Manthe, U. J. Theor. Comp. Chem. 2002, 1, 153.
- (2002) Theor. Comp. Chem , vol.1 , pp. 153
- Manthe, U.J.¹

370
- 0036904501
- Wang, D. J. Chem. Phys. 2002, 117, 9806.
- (2002) J. Chem. Phys , vol.117 , pp. 9806
- Wang, D.¹

371
- 0037439813
- Wang, D. J. Chem. Phys. 2003, 118, 1184.
- (2003) J. Chem. Phys , vol.118 , pp. 1184
- Wang, D.¹

372
- 0034721463
- Goodson, D. Z.; Roelse, D. W.; Chiang, W.-T.; Valone, S. M.; Doll, J. D. J. Am. Chem. Soc. 2000, 122, 9189.
- (2000) J. Am. Chem. Soc , vol.122 , pp. 9189
- Goodson, D.Z.¹ Roelse, D.W.² Chiang, W.-T.³ Valone, S.M.⁴ Doll, J.D.⁵

373
- 1642382065
- Zhao, Y.; Yamamoto, T.; Miller, W. H. J. Chem. Phys. 2004, 120, 3100.
- (2004) J. Chem. Phys , vol.120 , pp. 3100
- Zhao, Y.¹ Yamamoto, T.² Miller, W.H.³

374
- 0041765772
- Miller, W. H.; Zbao, Y.; Ceotto, M.; Yang, S. J. Chem. Phys. 2003, 119, 1329.
- (2003) J. Chem. Phys , vol.119 , pp. 1329
- Miller, W.H.¹ Zbao, Y.² Ceotto, M.³ Yang, S.⁴

375
- 2142746284
- Eyring, H. J. Chem. Phys. 1935, 3, 107.
- (1935) J. Chem. Phys , vol.3 , pp. 107
- Eyring, H.¹

376
- 37049147605
- Evans, M. G.; Polanyi, M. Trans. Faraday Soc. 1935, 31, 875.
- (1935) Trans. Faraday Soc , vol.31 , pp. 875
- Evans, M.G.¹ Polanyi, M.²

377
- 0011686939
- Gray, S. K.; Miller, W. H.; Yamaguchi, Y.; Schaefer, H. F., III J. Am. Chem. Soc. 1981, 103, 1900.
- (1981) J. Am. Chem. Soc , vol.103 , pp. 1900
- Gray, S.K.¹ Miller, W.H.² Yamaguchi, Y.³ Schaefer III, H.F.⁴

378
- 2042525558
- Carrington, T., Jr.; Hubbard, L. M.; Schaefer, H. F., III; Miller, W. H. J. Chem. Phys. 1984, 80, 4347.
- (1984) J. Chem. Phys , vol.80 , pp. 4347
- Carrington Jr., T.¹ Hubbard, L.M.² Schaefer III, H.F.³ Miller, W.H.⁴

379
- 0001550547
- Truhlar, D. G.; Kilpatrick, N. J.; Garrett, B. C. J. Chem. Phys. 1983, 78, 2438.
- (1983) J. Chem. Phys , vol.78 , pp. 2438
- Truhlar, D.G.¹ Kilpatrick, N.J.² Garrett, B.C.³

380
- 0345116888
- Gonzalez-Lafont, A.; Truong, T. N.; Truhlar, D. G. J. Chem. Phys. 1991, 95, 8875.
- (1991) J. Chem. Phys , vol.95 , pp. 8875
- Gonzalez-Lafont, A.¹ Truong, T.N.² Truhlar, D.G.³

381
- 0013585669
- Skodje, R. T.; Schwenke, D. W.; Truhlar, D. G.; Garrett, B. C. J. Phys. Chem. 1984, 88, 628.
- (1984) J. Phys. Chem , vol.88 , pp. 628
- Skodje, R.T.¹ Schwenke, D.W.² Truhlar, D.G.³ Garrett, B.C.⁴

382
- 0001250434
- Horiuti, J. Bull. Chem. Soc. Jpn. 1938, 13, 210.
- (1938) Bull. Chem. Soc. Jpn , vol.13 , pp. 210
- Horiuti, J.¹

383
- 0002258918
- Keck, J. C. Adv. Chem. Phys. 1967, 13, 85.
- (1967) Adv. Chem. Phys , vol.13 , pp. 85
- Keck, J.C.¹

384
- 33846312975
- Wang, I. S. Y.; Karplus, M. J. Am. Chem. Soc. 1973, 95, 8160.
- (1973) J. Am. Chem. Soc , vol.95 , pp. 8160
- Wang, I.S.Y.¹ Karplus, M.²

385
- 37049118019
- Malcolme-Lawes, D. J. J. Chem. Soc., Faraday Trans. II 1975, 71, 1183.
- (1975) J. Chem. Soc., Faraday Trans. II , vol.71 , pp. 1183
- Malcolme-Lawes, D.J.¹

386
- 33846285015
- Leforestier, C. J. Chem. Phys. 1978, 68, 4406.
- (1978) J. Chem. Phys , vol.68 , pp. 4406
- Leforestier, C.¹

387
- 36749109530
- Truhlar, D. G.; Duff, J. W.; Blais, N. C.; Tully, J. C.; Garrett, B. C. J. Chem. Phys. 1982, 77, 764.
- (1982) J. Chem. Phys , vol.77 , pp. 764
- Truhlar, D.G.¹ Duff, J.W.² Blais, N.C.³ Tully, J.C.⁴ Garrett, B.C.⁵

388
- 44949290378
- Helgaker, T.; Uggerud, E.; Jensen, H. J. A. Chem. Phys. Lett. 1990, 173, 145.
- (1990) Chem. Phys. Lett , vol.173 , pp. 145
- Helgaker, T.¹ Uggerud, E.² Jensen, H.J.A.³

389
- 4243606192
- Car, R.; Parrinello, M. Phys. Rev. Lett. 1985, 55, 2471.
- (1985) Phys. Rev. Lett , vol.55 , pp. 2471
- Car, R.¹ Parrinello, M.²

390
- 0001479386
- Tachibana, A.; Fueno, H.; Yamabe, T. J. Am. Chem. Soc. 1986, 108, 4346.
- (1986) J. Am. Chem. Soc , vol.108 , pp. 4346
- Tachibana, A.¹ Fueno, H.² Yamabe, T.³

391
- 0345570108
- Doubleday, C., Jr.; McIver, J. W., Jr.; Page, M. J. Phys. Chem. 1988, 92, 4367.
- (1988) J. Phys. Chem , vol.92 , pp. 4367
- Doubleday Jr., C.¹ McIver Jr., J.W.² Page, M.³

392
- 0040738105
- Field, M. J. Chem. Phys. Lett. 1990, 172, 83.
- (1990) J. Chem. Phys. Lett , vol.172 , pp. 83
- Field, M.¹

393
- 36149014576
- Eckart, C. Phys. Rev. 1930, 35, 1303.
- (1930) Phys. Rev , vol.35 , pp. 1303
- Eckart, C.¹

394
- 36849042436
- Hartmann, H.; Grein, F.; Zettler-Thieler, P. Z. Phys. Chem. 1960, 23, 139.
- (1960) Z. Phys. Chem , vol.23 , pp. 139
- Hartmann, H.¹ Grein, F.² Zettler-Thieler, P.³

395
- 84995186696
- Kaufman, J. J.; Harkins, J. J.; Koski, W. S. Int. J. Quantum Chem. 1967, 1s, 261.
- (1967) Int. J. Quantum Chem , vol.1 s , pp. 261
- Kaufman, J.J.¹ Harkins, J.J.² Koski, W.S.³

396
- 0008773658
- Lathan, W. A.; Hehre, W. J.; Curtiss, L. A.; Pople, J. A. J. Am. Chem. Soc. 1971, 93, 6377.
- (1971) J. Am. Chem. Soc , vol.93 , pp. 6377
- Lathan, W.A.¹ Hehre, W.J.² Curtiss, L.A.³ Pople, J.A.⁴

397
- 36849069266
- Ehrenson, S.; Newton, M. D. Chem. Phys. Lett. 1972, 13, 24.
- (1972) Chem. Phys. Lett , vol.13 , pp. 24
- Ehrenson, S.¹ Newton, M.D.²

398
- 0002757290
- Botschwina, P.; Meyer, W. Chem. Phys. 1977, 20, 43.
- (1977) Chem. Phys , vol.20 , pp. 43
- Botschwina, P.¹ Meyer, W.²

399
- 0002813445
- Niblaeus, K.; Roos, B. O.; Siegbahn, P. E. M. Chem. Phys. 1977, 26, 59.
- (1977) Chem. Phys , vol.26 , pp. 59
- Niblaeus, K.¹ Roos, B.O.² Siegbahn, P.E.M.³

400
- 0038085856
- Siegbahn, P. E. M. Chem. Phys. 1977, 25, 197.
- (1977) Chem. Phys , vol.25 , pp. 197
- Siegbahn, P.E.M.¹

401
- 84987057648
- Cársky, P.; Zahradnik, R. Int. J. Quantum Chem. 1979, 16, 243.
- (1979) Int. J. Quantum Chem , vol.16 , pp. 243
- Cársky, P.¹ Zahradnik, R.²

402
- 0001074253
- Wigner, E. Z. Phys. Chem. 1932, B19, 203.
- (1932) Z. Phys. Chem , vol.B19 , pp. 203
- Wigner, E.¹

403
- 0002826972
- Boatz, J. A.; Gordon, M. S. J. Phys. Chem. 1989, 93, 5774.
- (1989) J. Phys. Chem , vol.93 , pp. 5774
- Boatz, J.A.¹ Gordon, M.S.²

404
- 0001405130
- Tachibana, A.; Fukui, K. Theor. Chim. Acta 1978, 49, 321.
- (1978) Theor. Chim. Acta , vol.49 , pp. 321
- Tachibana, A.¹ Fukui, K.²

405
- 0013590146
- Tachibana, A.; Fukui, K. Theor. Chim. Acta 1979, 51, 189.
- (1979) Theor. Chim. Acta , vol.51 , pp. 189
- Tachibana, A.¹ Fukui, K.²

406
- 0039830727
- Tachibana, A.; Fukui, K. Theor. Chim. Acta 1979, 51, 275.
- (1979) Theor. Chim. Acta , vol.51 , pp. 275
- Tachibana, A.¹ Fukui, K.²

407
- 0001614947
- Natanson, G. A. Mol. Phys. 1982, 46, 481.
- (1982) Mol. Phys , vol.46 , pp. 481
- Natanson, G.A.¹

408
- 0003027034
- Shida, N.; Almlof, J. E.; Barbara, P. F. Theor. Chim. Acta 1989, 76, 7.
- (1989) Theor. Chim. Acta , vol.76 , pp. 7
- Shida, N.¹ Almlof, J.E.² Barbara, P.F.³

409
- 36849017283
- Natanson, G. A.; Garrett, B. C.; Truong, T. N.; Joseph, T.; Truhlar, D. G. J. Chem. Phys. 1991, 94, 7975.
- (1991) J. Chem. Phys , vol.94 , pp. 7975
- Natanson, G.A.¹ Garrett, B.C.² Truong, T.N.³ Joseph, T.⁴ Truhlar, D.G.⁵

410
- 0001934244
- Natanson, G. A. Chem. Phys. Lett. 1991, 178, 49.
- (1991) Chem. Phys. Lett , vol.178 , pp. 49
- Natanson, G.A.¹

411
- 0000504118
- Natanson, G. A. Chem. Phys. Lett. 1992, 190, 209.
- (1992) Chem. Phys. Lett , vol.190 , pp. 209
- Natanson, G.A.¹

412
- 25344478201
- Natanson, G. A. Chem. Phys. Lett. 1992, 190, 215.
- (1992) Chem. Phys. Lett , vol.190 , pp. 215
- Natanson, G.A.¹

413
- 0000986988
- Fast, P. L.; Corchado, J. C.; Truhlar, D. G. J. Chem. Phys. 1998, 109, 6237.
- (1998) J. Chem. Phys , vol.109 , pp. 6237
- Fast, P.L.¹ Corchado, J.C.² Truhlar, D.G.³

414
- 0000782133
- Jursic, B. S. Theochem 1995, 358, 139.
- (1995) Theochem , vol.358 , pp. 139
- Jursic, B.S.¹

415
- 84981632601
- Jursic, B. S.; Zdravkovski, Z. Int. J. Quantum Chem. 1995, 56, 115.
- (1995) Int. J. Quantum Chem , vol.56 , pp. 115
- Jursic, B.S.¹ Zdravkovski, Z.²

416
- 0000652957
- Jursic, B. S. Chem. Phys. Lett. 1995, 244, 263.
- (1995) Chem. Phys. Lett , vol.244 , pp. 263
- Jursic, B.S.¹

417
- 37049091012
- Jursic, B.; Zdravkovski, Z. J. Chem. Soc., Perkin Trans. II 1995, 1223.
- (1995) J. Chem. Soc., Perkin Trans. II , pp. 1223
- Jursic, B.¹ Zdravkovski, Z.²

418
- 0030581007
- Durant, J. L. Chem. Phys. Lett. 1996, 256, 595.
- (1996) Chem. Phys. Lett , vol.256 , pp. 595
- Durant, J.L.¹

419
- 0030163355
- Jursic, B. S. Chem. Phys. Lett. 1996, 256, 213.
- (1996) Chem. Phys. Lett , vol.256 , pp. 213
- Jursic, B.S.¹

420
- 0001223947
- Jursic, B. S. J. Chem. Phys. 1996, 104, 4151.
- (1996) J. Chem. Phys , vol.104 , pp. 4151
- Jursic, B.S.¹

421
- 1542405228
- Zhao, Y.; Pu, J.; Lynch, B. J.; Truhlar, D. G. Phys. Chem. Chem. Phys. 2004, 6, 673.
- (2004) Phys. Chem. Chem. Phys , vol.6 , pp. 673
- Zhao, Y.¹ Pu, J.² Lynch, B.J.³ Truhlar, D.G.⁴

422
- 4344577294
- Zhao, Y.; Truhlar, D. G. J. Phys. Chem. A 2004, 108, 6908.
- (2004) J. Phys. Chem. A , vol.108 , pp. 6908
- Zhao, Y.¹ Truhlar, D.G.²

423
- 15544366274
- Zhao, Y.; Gonzalez-Garcia, N.; Truhlar, D. G. J. Phys. Chem. A 2005, 109, 2012.
- (2005) J. Phys. Chem. A , vol.109 , pp. 2012
- Zhao, Y.¹ Gonzalez-Garcia, N.² Truhlar, D.G.³

424
- 22744441344
- Zhao, Y.; Truhlar, D. G. J. Phys. Chem. A 2005, 109, 5656.
- (2005) J. Phys. Chem. A , vol.109 , pp. 5656
- Zhao, Y.¹ Truhlar, D.G.²

425
- 33646464890
- Zhao, Y.; Schultz, N. E.; Trublar, D. G. J. Chem. Theory Comput. 2006, 2, 364.
- (2006) J. Chem. Theory Comput , vol.2 , pp. 364
- Zhao, Y.¹ Schultz, N.E.² Trublar, D.G.³

426
- 34447557776
- Zhao, Y.; Truhlar, D. G. Theor. Chem. Acc., available in the Online First section of SpringerLink at hnp://dx.doi.org/10.1007/ s00214-007-0310-x.
- Zhao, Y.; Truhlar, D. G. Theor. Chem. Acc., available in the Online First section of SpringerLink at hnp://dx.doi.org/10.1007/ s00214-007-0310-x.

427
- 2342430096
- Zhao, Y.; Lynch, B. J.; Truhlar, D. G. J. Phys. Chem. A 2004, 108, 2715.
- (2004) J. Phys. Chem. A , vol.108 , pp. 2715
- Zhao, Y.¹ Lynch, B.J.² Truhlar, D.G.³

428
- 2942538032
- Zhao, Y.; Lynch, B. J.; Truhlar, D. G. J. Phys. Chem. A 2004, 108, 4786.
- (2004) J. Phys. Chem. A , vol.108 , pp. 4786
- Zhao, Y.¹ Lynch, B.J.² Truhlar, D.G.³

429
- 0000521484
- Hancock, G. C.; Mead, C. A.; Tnihlar, D. G.; Varandas, A. J. C. J. Chem. Phys. 1989, 91, 3492.
- (1989) J. Chem. Phys , vol.91 , pp. 3492
- Hancock, G.C.¹ Mead, C.A.² Tnihlar, D.G.³ Varandas, A.J.C.⁴

430
- 33746614482
- Dunning, T. H., Jr. J. Chem. Phys. 1989, 90, 1007.
- (1989) J. Chem. Phys , vol.90 , pp. 1007
- Dunning Jr., T.H.¹

431
- 2442675147
- University of Minnesota: Minneapolis, MN
- Corchado, J. C.; Chuang, Y.-Y.; Fast, P. L.; Villà, J.; Hu, W.-P.; Liu, Y.-P.; Lynch, G. C.; Nguyen, K. A.; Jackels, C. F.; Melissas, V. S.; Lynch, B. J.; Rossi, I.; Coitiño, E. L.; Fernandez-Ramos, A.; Pu, J.; Albu, T. V.; Steckler, R.; Garrett, B. C.; Isaacson, A. D.; Truhlar, D. G. POLYRATE 9.1; University of Minnesota: Minneapolis, MN, 2002.
- (2002) POLYRATE 9.1
- Corchado, J.C.¹ Chuang, Y.-Y.² Fast, P.L.³ Villà, J.⁴ Hu, W.-P.⁵ Liu, Y.-P.⁶ Lynch, G.C.⁷ Nguyen, K.A.⁸ Jackels, C.F.⁹ Melissas, V.S.¹⁰ Lynch, B.J.¹¹ Rossi, I.¹² Coitiño, E.L.¹³ Fernandez-Ramos, A.¹⁴ Pu, J.¹⁵ Albu, T.V.¹⁶ Steckler, R.¹⁷ Garrett, B.C.¹⁸ Isaacson, A.D.¹⁹ Truhlar, D.G.²⁰ more..

432
- 33645975131
- Kurosaki, Y. Nukleonika 2002, 47, S81.
- (2002) Nukleonika , vol.47
- Kurosaki, Y.¹

433
- 36448999796
- Simpson, W. R.; Rakitizis, T. P.; Kandel, S. A.; Orr-Ewing, A. J.; Zare, R. N. J. Chem. Phys. 1995, 103, 7313.
- (1995) J. Chem. Phys , vol.103 , pp. 7313
- Simpson, W.R.¹ Rakitizis, T.P.² Kandel, S.A.³ Orr-Ewing, A.J.⁴ Zare, R.N.⁵

434
- 33747291168
- Simpson, W. R.; Rakitzis, T. P.; Kandel, S. A.; Lev-On, T.; Zare, R. N. J. Phys. Chem. 1996, 100, 7938.
- (1996) J. Phys. Chem , vol.100 , pp. 7938
- Simpson, W.R.¹ Rakitzis, T.P.² Kandel, S.A.³ Lev-On, T.⁴ Zare, R.N.⁵

435
- 0034271680
- Harper, W. W.; Nizkorodov, S. A.; Nesbitt, D. J. J. Chem. Phys. 2000, 113, 3670.
- (2000) J. Chem. Phys , vol.113 , pp. 3670
- Harper, W.W.¹ Nizkorodov, S.A.² Nesbitt, D.J.³

436
- 0000642793
- Harper, W. W.; Nizkorodov, S. A.; Nesbitt, D. J. Chem. Phys. Lett. 2001, 335, 381.
- (2001) J. Chem. Phys. Lett , vol.335 , pp. 381
- Harper, W.W.¹ Nizkorodov, S.A.² Nesbitt, D.³

437
- 0942299428
- Shiu, W.; Lin, J. J.; Liu, K.; Wu, M.; Parker, D. H. J. Chem. Phys. 2004, 120, 117.
- (2004) J. Chem. Phys , vol.120 , pp. 117
- Shiu, W.¹ Lin, J.J.² Liu, K.³ Wu, M.⁴ Parker, D.H.⁵

438
- 2142657907
- Shiu, W.; Lin, J. J.; Liu, K. Phys. Rev. Lett. 2004, 92, 103201.
- (2004) Phys. Rev. Lett , vol.92 , pp. 103201
- Shiu, W.¹ Lin, J.J.² Liu, K.³

439
- 33748281593
- Sanson, J.; Corchado, J. C.; Rangel, C.; Espinosa-Garcia, J. J. Phys. Chem. A 2006, 110, 9568.
- (2006) J. Phys. Chem. A , vol.110 , pp. 9568
- Sanson, J.¹ Corchado, J.C.² Rangel, C.³ Espinosa-Garcia, J.⁴

440
- 33947318069
- Guo, Y.; Harding, L. B.; Wagner, A. F.; Minkoff, M.; Thompson, D. L. J. Chem. Phys. 2007, 126, 104105.
- (2007) J. Chem. Phys , vol.126 , pp. 104105
- Guo, Y.¹ Harding, L.B.² Wagner, A.F.³ Minkoff, M.⁴ Thompson, D.L.⁵

441
- 34248376539
- Dawes, R.; Thompson, D. L.; Guo, Y.; Wagner, A. F.; Minkoff, M. J. Chem. Phys. 2007, 126, 184108.
- (2007) J. Chem. Phys , vol.126 , pp. 184108
- Dawes, R.¹ Thompson, D.L.² Guo, Y.³ Wagner, A.F.⁴ Minkoff, M.⁵

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.