SCOPUS 정보 검색 플랫폼

Volumn 109, Issue 25, 2005, Pages 5656-5667

Design of density functionals that are broadly accurate for thermochemistry, thermochemical kinetics, and nonbonded interactions

(2) Zhao, Yan a Truhlar, Donald G a

a University of Minnesota (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOND ENERGIES; KINETIC ENERGY DENSITY; LOCAL SPIN DENSITY APPROXIMATION (LSDA); THERMOCHEMISTRY;

ATOMIZATION; CHEMICAL BONDS; DATABASE SYSTEMS; HYDROGEN; PROBABILITY DENSITY FUNCTION; PROTEINS;

REACTION KINETICS;

EID: 22744441344 PISSN: 10895639 EISSN: None Source Type: Journal
DOI: 10.1021/jp050536c Document Type: Article

Times cited : (1431)

References (90)

1
- 26144450583
- Perdew, J. P.; Zunger, A. Phys. Rev. B 1981, 23, 5048.
- (1981) Phys. Rev. B , vol.23 , pp. 5048
- Perdew, J.P.¹ Zunger, A.²

2
- 5944261746
- Perdew, J. P. Phys. Rev. B 1986, 33, 8822.
- (1986) Phys. Rev. B , vol.33 , pp. 8822
- Perdew, J.P.¹

3
- 4243553426
- Becke, A. D. Phys. Rev. A 1988, 38, 3098.
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

4
- 0345491105
- Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

5
- 0002851019
- Ziesche, P., Eschig, H., Eds.; Akademie Verlag: Berlin
- Perdew, J. P. In Electronic Structure of Solids '91; Ziesche, P., Eschig, H., Eds.; Akademie Verlag: Berlin, 1991; p 11.
- (1991) Electronic Structure of Solids '91 , pp. 11
- Perdew, J.P.¹

6
- 33645898818
- Perdew, J. P.; Wang, Y. Phys. Rev. B 1992, 45, 13244.
- (1992) Phys. Rev. B , vol.45 , pp. 13244
- Perdew, J.P.¹ Wang, Y.²

7
- 34250817103
- Becke, A. D. J. Chem. Phys. 1993, 98, 1372.
- (1993) J. Chem. Phys. , vol.98 , pp. 1372
- Becke, A.D.¹

8
- 0000189651
- Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

9
- 33751157732
- Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. J. Phys. Chem. 1994, 98, 11623.
- (1994) J. Phys. Chem. , vol.98 , pp. 11623
- Stephens, P.J.¹ Devlin, F.J.² Chabalowski, C.F.³ Frisch, M.J.⁴

10
- 11144255959
- Becke, A. D. J. Chem. Phys. 1996, 104, 1040.
- (1996) J. Chem. Phys. , vol.104 , pp. 1040
- Becke, A.D.¹

11
- 4243943295
- Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett 1996, 77, 3865.
- (1996) Phys. Rev. Lett , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

12
- 0001322105
- Perdew, J. P.; Ernzerhof, M.; Burke, K. J. Chem. Phys. 1996, 105, 9982.
- (1996) J. Chem. Phys. , vol.105 , pp. 9982
- Perdew, J.P.¹ Ernzerhof, M.² Burke, K.³

13
- 0344718335
- Becke, A. D. J. Chem. Phys. 1997, 107, 8554.
- (1997) J. Chem. Phys. , vol.107 , pp. 8554
- Becke, A.D.¹

14
- 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

15
- 0000704744
- Schmider, H. L.; Becke, A. D. J. Chem. Phys. 1998, 108, 9624.
- (1998) J. Chem. Phys. , vol.108 , pp. 9624
- Schmider, H.L.¹ Becke, A.D.²

16
- 0041920499
- Voorhis, T. V.; Scuseria, G. E. J. Chem. Phys. 1998, 109, 400.
- (1998) J. Chem. Phys. , vol.109 , pp. 400
- Voorhis, T.V.¹ Scuseria, G.E.²

17
- 0001652762
- Hamprecht, F. A.; Cohen, A. J.; Tozer, D. J.; Handy, N. C. J. Chem. Phys. 1998, 109, 6264.
- (1998) J. Chem. Phys. , vol.109 , pp. 6264
- Hamprecht, F.A.¹ Cohen, A.J.² Tozer, D.J.³ Handy, N.C.⁴

18
- 0001070592
- Handy, N. C.; Tozer, D. J. Mol. Phys. 1998, 94, 707.
- (1998) Mol. Phys. , vol.94 , pp. 707
- Handy, N.C.¹ Tozer, D.J.²

19
- 0009613770
- Krieger, J. B.; Chen, J.; Iafrate, G. J. Int. J. Quantum Chem. 1998, 69, 255.
- (1998) Int. J. Quantum Chem. , vol.69 , pp. 255
- Krieger, J.B.¹ Chen, J.² Iafrate, G.J.³

20
- 0001583305
- Rey, J.; Savin, A. Int. J. Quantum Chem. 1998, 69, 581.
- (1998) Int. J. Quantum Chem. , vol.69 , pp. 581
- Rey, J.¹ Savin, A.²

21
- 0038574367
- Gonis, A., Kioussis, N., Eds.; Plenum: New York
- Krieger, J. B.; Chen, J.; Iafrate, G. J.; Savin, A. In Electron Correlations and Materials Properties; Gonis, A., Kioussis, N., Eds.; Plenum: New York, 1999; p 463.
- (1999) Electron Correlations and Materials Properties , pp. 463
- Krieger, J.B.¹ Chen, J.² Iafrate, G.J.³ Savin, A.⁴

22
- 0010309669
- Engel, E.; Dreizler, R. M. J. Comput. Chem. 1999, 20, 31.
- (1999) J. Comput. Chem. , vol.20 , pp. 31
- Engel, E.¹ Dreizler, R.M.²

23
- 3343014210
- Perdew, J. P.; Kurth, S.; Zupan, A.; Blaha, P. Phys. Rev. Lett 1999, 82, 2544.
- (1999) Phys. Rev. Lett , vol.82 , pp. 2544
- Perdew, J.P.¹ Kurth, S.² Zupan, A.³ Blaha, P.⁴

24
- 0001006790
- Becke, A. D. J. Chem. Phys. 2000, 112, 4020.
- (2000) J. Chem. Phys. , vol.112 , pp. 4020
- Becke, A.D.¹

25
- 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

26
- 0034512596
- Proynov, E.; Chermette, H.; Salahub, D. R. J. Chem. Phys. 2000, 113, 10013.
- (2000) J. Chem. Phys. , vol.113 , pp. 10013
- Proynov, E.¹ Chermette, H.² Salahub, D.R.³

27
- 0035836323
- Handy, N. C.; Cohen, A. J. Mol. Phys. 2001, 99, 403.
- (2001) Mol. Phys. , vol.99 , pp. 403
- Handy, N.C.¹ Cohen, A.J.²

28
- 0003838470
- Doren, V., Alsenoy, C. V., Geerlings., P., Eds.; American Institute of Physics: New York
- Perdew, J. P.; Schmidt, K. In Density Functional Theory and Its Applications to Materials; Doren, V., Alsenoy, C. V., Geerlings., P., Eds.; American Institute of Physics: New York, 2001.
- (2001) Density Functional Theory and Its Applications to Materials
- Perdew, J.P.¹ Schmidt, K.²

29
- 0035810443
- Lynch, B. J.; Truhlar, D. G. J. Phys. Chem. A 2001, 105, 2936.
- (2001) J. Phys. Chem. A , vol.105 , pp. 2936
- Lynch, B.J.¹ Truhlar, D.G.²

30
- 0035935994
- Wilson, P. J.; Bradley, T. J.; Tozer, D. J. J. Chem. Phys. 2001, 115, 9233.
- (2001) J. Chem. Phys. , vol.115 , pp. 9233
- Wilson, P.J.¹ Bradley, T.J.² Tozer, D.J.³

31
- 0037041776
- Adamo, C.; Barone, V. J. Chem. Phys. 2002, 116, 5933.
- (2002) J. Chem. Phys. , vol.116 , pp. 5933
- Adamo, C.¹ Barone, V.²

32
- 0037042645
- Boese, A. D.; Handy, N. C. J. Chem. Phys. 2002, 116, 9559.
- (2002) J. Chem. Phys. , vol.116 , pp. 9559
- Boese, A.D.¹ Handy, N.C.²

33
- 0037158116
- Baker, J.; Pulay, P. J. Chem. Phys. 2002, 117, 1441.
- (2002) J. Chem. Phys. , vol.117 , pp. 1441
- Baker, J.¹ Pulay, P.²

34
- 0037115795
- Toulouse, J.; Savin, A.; Adamo, C. J. Chem. Phys. 2002, 117, 10465.
- (2002) J. Chem. Phys. , vol.117 , pp. 10465
- Toulouse, J.¹ Savin, A.² Adamo, C.³

35
- 0037174621
- Mattsson, A. E. Science 2002, 298, 759.
- (2002) Science , vol.298 , pp. 759
- Mattsson, A.E.¹

36
- 0042380153
- Boese, A. D.; Martin, J. M. L.; Handy, N. C. J. Chem. Phys. 2003, 119, 3005.
- (2003) J. Chem. Phys. , vol.119 , pp. 3005
- Boese, A.D.¹ Martin, J.M.L.² Handy, N.C.³

37
- 0142090209
- Boese, A. D.; Chandra, A.; Martin, J. M. L.; Marx, D. J. Chem. Phys. 2003, 119, 5965.
- (2003) J. Chem. Phys. , vol.119 , pp. 5965
- Boese, A.D.¹ Chandra, A.² Martin, J.M.L.³ Marx, D.⁴

38
- 0347319419
- Staroverov, V. N.; Scuseria, G. E.; Tao, J.; Perdew, J. P. J. Chem. Phys. 2003, 119, 12129.
- (2003) J. Chem. Phys. , vol.119 , pp. 12129
- Staroverov, V.N.¹ Scuseria, G.E.² Tao, J.³ Perdew, J.P.⁴

39
- 0242593713
- Tao, J.; Perdew, J. P.; Staroverov, V. N.; Scuseria, G. E. Phys. Rev. Lett. 2003, 91, 146401.
- (2003) Phys. Rev. Lett. , vol.91 , pp. 146401
- Tao, J.¹ Perdew, J.P.² Staroverov, V.N.³ Scuseria, G.E.⁴

40
- 1542297780
- Xu, X.; Goddard, W. A. Proc. Natl. Acad. Sci. U.S.A. 2004, 101, 2673.
- (2004) Proc. Natl. Acad. Sci. U.S.A. , vol.101 , pp. 2673
- Xu, X.¹ Goddard, W.A.²

41
- 2342467487
- Perdew, J. P.; Tao, J.; Staroverov, V. N.; Scuseria, G. E. J. Chem. Phys. 2004, 120, 6898.
- (2004) J. Chem. Phys. , vol.120 , pp. 6898
- Perdew, J.P.¹ Tao, J.² Staroverov, V.N.³ Scuseria, G.E.⁴

42
- 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

43
- 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

44
- 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

45
- 4644235418
- Andersson, S.; Gruning, M. J. Phys. Chem. A 2004, 108, 7621.
- (2004) J. Phys. Chem. A , vol.108 , pp. 7621
- Andersson, S.¹ Gruning, M.²

46
- 4444384571
- Boese, A. D.; Martin, J. M. L. J. Chem. Phys. 2004, 121, 3405.
- (2004) J. Chem. Phys. , vol.121 , pp. 3405
- Boese, A.D.¹ Martin, J.M.L.²

47
- 22744450125
- Xu, X.; William A. Goddard, I. J. Chem. Phys. 2004, 121, 4086.
- (2004) J. Chem. Phys. , vol.121 , pp. 4086
- Xu, X.¹ William, A.² Goddard, I.³

48
- 12444279045
- Zhao, Y.; Lynch, B. J.; Truhlar, D. G. Phys. Chem. Chem. Phys. 2005, 7, 43.
- (2005) Phys. Chem. Chem. Phys. , vol.7 , pp. 43
- Zhao, Y.¹ Lynch, B.J.² Truhlar, D.G.³

49
- 15544366274
- Zhao, Y.; González-García, N.; Truhlar, D. G. J. Phys. Chem. A 2005, 109, 2012.
- (2005) J. Phys. Chem. A , vol.109 , pp. 2012
- Zhao, Y.¹ González-García, N.² Truhlar, D.G.³

50
- 77249127120
- Zhao, Y.; Truhlar, D. G. J. Comput. Theory Comput. 2005, 1, 415.
- (2005) J. Comput. Theory Comput. , vol.1 , pp. 415
- Zhao, Y.¹ Truhlar, D.G.²

51
- 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

52
- 0037039459
- Wu, Q.; Yang, W. J. Chem. Phys. 2002, 116, 515.
- (2002) J. Chem. Phys. , vol.116 , pp. 515
- Wu, Q.¹ Yang, W.²

53
- 4043164887
- Grimme, S. J. Comput. Chem. 2004, 25, 1463.
- (2004) J. Comput. Chem. , vol.25 , pp. 1463
- Grimme, S.¹

54
- 13844271589
- Walsh, T. R. Phys. Chem. Chem. Phys. 2005, 7, 443.
- (2005) Phys. Chem. Chem. Phys. , vol.7 , pp. 443
- Walsh, T.R.¹

55
- 0242573642
- Lynch, B. J.; Truhlar, D. G. J. Phys. Chem. A 2003, 107, 8996.
- (2003) J. Phys. Chem. A , vol.107 , pp. 8996
- Lynch, B.J.¹ Truhlar, D.G.²

56
- 0037422363
- Lynch, B. J.; Zhao, Y.; Truhlar, D. G. J. Phys. Chem. A 2003, 107, 1384.
- (2003) J. Phys. Chem. A , vol.107 , pp. 1384
- Lynch, B.J.¹ Zhao, Y.² Truhlar, D.G.³

57
- 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

58
- 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

59
- 0001750657
- Martin, J. M. L.; Oliveira, G. d. J. Chem. Phys. 1999, 111, 1843.
- (1999) J. Chem. Phys. , vol.111 , pp. 1843
- Martin, J.M.L.¹ Oliveira, G.D.²

60
- 0037063502
- Sinnokrot, M. O.; Valeev, E. F.; Sherrill, C. D. J. Am. Chem. Soc. 2002, 124, 10887.
- (2002) J. Am. Chem. Soc. , vol.124 , pp. 10887
- Sinnokrot, M.O.¹ Valeev, E.F.² Sherrill, C.D.³

61
- 84860960466
- Lynch, B. J.; Zhao, Y.; Truhlar, D. G. http://comp.chem.umn.edu/database.
- Lynch, B.J.¹ Zhao, Y.² Truhlar, D.G.³

62
- 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

63
- 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

64
- 0001586585
- Curtiss, L. A.; Redfern, P. C.; Raghavachari, K.; Rassolov, V.; Pople, J. A. J. Chem. Phys. 1999, 110, 4703.
- (1999) J. Chem. Phys. , vol.110 , pp. 4703
- Curtiss, L.A.¹ Redfern, P.C.² Raghavachari, K.³ Rassolov, V.⁴ Pople, J.A.⁵

65
- 36549091139
- Frisch, M. J.; Pople, J. A.; Binkley, J. S. J. Chem. Phys. 1984, 80, 3265.
- (1984) J. Chem. Phys. , vol.80 , pp. 3265
- Frisch, M.J.¹ Pople, J.A.² Binkley, J.S.³

66
- 84873055189
- Wiley: New York
- Hehre, W. J.; Radom, L.; Schleyer, P. v. R.; Pople, J. A. Ab Initio Molecular Orbital Theory; Wiley: New York, 1986.
- (1986) Ab Initio Molecular Orbital Theory
- Hehre, W.J.¹ Radom, L.² Schleyer, P.V.R.³ Pople, J.A.⁴

67
- 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

68
- 9944235885
- Sinnokrot, M. O.; Sherrill, C. D. J. Phys. Chem. A 2004, 108, 10200.
- (2004) J. Phys. Chem. A , vol.108 , pp. 10200
- Sinnokrot, M.O.¹ Sherrill, C.D.²

69
- 84890021933
- Boys, S. F.; Bernardi, F. Mol. Phys. 1970, 19, 553.
- (1970) Mol. Phys. , vol.19 , pp. 553
- Boys, S.F.¹ Bernardi, F.²

70
- 36549104346
- Schwenke, D. W.; Truhlar, D. G. J. Chem. Phys. 1985, 82, 2418.
- (1985) J. Chem. Phys. , vol.82 , pp. 2418
- Schwenke, D.W.¹ Truhlar, D.G.²

71
- 0141704726
- Gaussian, Inc.: Pittsburgh, PA
- Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A.; Jr., T. V.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, G.; Dapprich, S. ; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, Revision C.01; Gaussian, Inc.: Pittsburgh, PA, 2003.
- (2003) Gaussian 03, Revision C.01
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³ Scuseria, G.E.⁴ Robb, M.A.⁵ Cheeseman, J.R.⁶ Montgomery Jr., J.A.⁷ V., T.⁸ Kudin, K.N.⁹ Burant, J.C.¹⁰ Millam, J.M.¹¹ Iyengar, S.S.¹² Tomasi, J.¹³ Barone, V.¹⁴ Mennucci, B.¹⁵ Cossi, M.¹⁶ Scalmani, G.¹⁷ Rega, N.¹⁸ Petersson, G.A.¹⁹ Nakatsuji, H.²⁰ more..

72
- 0000759292
- Stoll, H.; Pavkidou, C. M. E.; Preuss, H. Theor. Chim. Acta 1978, 49, 143.
- (1978) Theor. Chim. Acta , vol.49 , pp. 143
- Stoll, H.¹ Pavkidou, C.M.E.² Preuss, H.³

73
- 22744447543
- von-Weizsäcker, C. F. Z. Phys. 1935, 96, 431.
- (1935) Z. Phys. , vol.96 , pp. 431
- Von-Weizsäcker, C.F.¹

74
- 84959186380
- Dirac, P. A. M. Proc. Cambridge Philos. Soc. 1930, 26, 376.
- (1930) Proc. Cambridge Philos. Soc. , vol.26 , pp. 376
- Dirac, P.A.M.¹

75
- 0004086648
- McGraw-Hill: New York
- Slater, J. C. Quantum Theory of Matter, 2nd ed.; McGraw-Hill: New York, 1968.
- (1968) Quantum Theory of Matter, 2nd Ed.
- Slater, J.C.¹

76
- 0003460779
- McGraw-Hill: New York
- Slater, J. C. Quantum Theory of Molecular and Solids. Vol. 4: The Self-Consistent Field for Molecular and Solids; McGraw-Hill: New York, 1974.
- (1974) Quantum Theory of Molecular and Solids. Vol. 4: The Self-consistent Field for Molecular and Solids , vol.4
- Slater, J.C.¹

77
- 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

78
- 0030197702
- Ruiz, E.; Salahub, D. R.; Vela, A. J. Phys. Chem. 1996, 100, 12265.
- (1996) J. Phys. Chem. , vol.100 , pp. 12265
- Ruiz, E.¹ Salahub, D.R.² Vela, A.³

79
- 0000659222
- Ruiz, E.; Salahub, D. R.; Vela, A. J. Am. Chem. Soc. 1995, 117, 1141.
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 1141
- Ruiz, E.¹ Salahub, D.R.² Vela, A.³

80
- 33645921572
- Brown, F.; Truhlar, D. G. Chem. Phys. Lett. 1985, 117, 307.
- (1985) Chem. Phys. Lett. , vol.117 , pp. 307
- Brown, F.¹ Truhlar, D.G.²

81
- 22744455046
- Gordon, M. S.; Truhlar, D. G. J. Am. Chem. Soc. 1986, 108, 2.
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 2
- Gordon, M.S.¹ Truhlar, D.G.²

82
- 0842268411
- Giese, T. J.; York, D. M. J. Chem. Phys. 2004, 120, 590.
- (2004) J. Chem. Phys. , vol.120 , pp. 590
- Giese, T.J.¹ York, D.M.²

83
- 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

84
- 10844259748
- Subotnik, J. E.; Shao, Y.; Liang, W.; Head-Gordon, M. J. Chem. Phys. 2004, 121, 9220.
- (2004) J. Chem. Phys. , vol.121 , pp. 9220
- Subotnik, J.E.¹ Shao, Y.² Liang, W.³ Head-Gordon, M.⁴

85
- 22944482235
- Subotnik, J. E.; Head-Gordon, M. J. Chem. Phys. 2005, 122, 034109.
- (2005) J. Chem. Phys. , vol.122 , pp. 034109
- Subotnik, J.E.¹ Head-Gordon, M.²

86
- 0001283651
- Kumar, A.; Meath, W. J. Mol. Phys. 1985, 54, 823.
- (1985) Mol. Phys. , vol.54 , pp. 823
- Kumar, A.¹ Meath, W.J.²

87
- 8344224561
- Cybulski, S. M.; Haley, T. P. J. Chem. Phys. 2004, 121, 7711.
- (2004) J. Chem. Phys. , vol.121 , pp. 7711
- Cybulski, S.M.¹ Haley, T.P.²

88
- 22744443787
- Parson, J. M.; Schafer, T. P.; Tully, F. P.; Siska, P. E.; Wong, Y. C.; Lee, Y.-T. J. Chem. Phys. 1970, 53, 2134.
- (1970) J. Chem. Phys. , vol.53 , pp. 2134
- Parson, J.M.¹ Schafer, T.P.² Tully, F.P.³ Siska, P.E.⁴ Wong, Y.C.⁵ Lee, Y.-T.⁶

89
- 1442347448
- Parson, J. M.; Schafer, T. P.; Siska, P. E.; Tully, F. P.; Wong, Y. C.; Lee, Y.-T. J. Chem. Phys. 1970, 53, 3755.
- (1970) J. Chem. Phys. , vol.53 , pp. 3755
- Parson, J.M.¹ Schafer, T.P.² Siska, P.E.³ Tully, F.P.⁴ Wong, Y.C.⁵ Lee, Y.-T.⁶

90
- 0000519614
- Ogilvie, J. F.; Wang, F. Y. H. J. Mol. Struct. 1992, 273, 277.
- (1992) J. Mol. Struct. , vol.273 , pp. 277
- Ogilvie, J.F.¹ Wang, F.Y.H.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.