SCOPUS 정보 검색 플랫폼

Volumn 102, Issue 17, 1998, Pages 2954-2961

High level and dual level direct dynamics in the intramolecular proton transfer of hydrogenoxalate anion. Influence of tunneling and isotopic effect

(3) Fernández Ramos, Antonio a Rodríguez Otero, Jesús a Ríos, Miguel A a

a UNIVERSITY OF SANTIAGO DE COMPOSTELA (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0842333499 PISSN: 10895639 EISSN: None Source Type: Journal
DOI: 10.1021/jp980269t Document Type: Article

Times cited : (15)

References (60)

1
- 0004268527
- Chapman & Hall: London
- Bell, R. P. The Tunnel Effect in Chemistry; Chapman & Hall: London, 1980.
- (1980) The Tunnel Effect in Chemistry
- Bell, R.P.¹

2
- 0003946118
- Chapman & Hall: London
- Caldin, E. F.; Gold, V. Proton-transfer Reactions; Chapman & Hall: London, 1975.
- (1975) Proton-transfer Reactions
- Caldin, E.F.¹ Gold, V.²

3
- 0003678746
- Academic: Orlando
- Stewart, R. The Proton: Applications to Organic Chemistry; Academic: Orlando, 1985.
- (1985) The Proton: Applications to Organic Chemistry
- Stewart, R.¹

4
- 0003518988
- NATO ASI Series (B291); Plenum Press: New York and London
- Bountis, T. Proton Transfer in Hydrogen-Bonded Systems; NATO ASI Series (B291); Plenum Press: New York and London, 1991.
- (1991) Proton Transfer in Hydrogen-Bonded Systems
- Bountis, T.¹

5
- 0000775656
- Heindrich, D., Ed.; Kluwer: Dordrecht, and references therein
- Truhlar, D. G. The Reaction Path in Chemistry; Current approaches and Perspectives; Heindrich, D., Ed.; Kluwer: Dordrecht, 1995; pp 229-255 and references therein.
- (1995) The Reaction Path in Chemistry; Current Approaches and Perspectives , pp. 229-255
- Truhlar, D.G.¹

6
- 0029193596
- (a) Corchado, J. C.; Espinosa-García, J.; Hu, W.-P.; Rossi, Y.; Truhlar, D. G. J. Phys. Chem. 1995, 99, 687.
- (1995) J. Phys. Chem. , vol.99 , pp. 687
- Corchado, J.C.¹ Espinosa-García, J.² Hu, W.-P.³ Rossi, Y.⁴ Truhlar, D.G.⁵

7
- 5844245605
- (b) Espinosa-García, J.; Corchado, J. J. Chem. Phys. 1994, 101, 1333.
- (1994) J. Chem. Phys. , vol.101 , pp. 1333
- Espinosa-García, J.¹ Corchado, J.²

8
- 0000625187
- (c) Espinosa-García, J.; Corchado, J.; J. Chem. Phys. 1994, 101, 8700.
- (1994) J. Chem. Phys. , vol.101 , pp. 8700
- Espinosa-García, J.¹ Corchado, J.²

9
- 36449003311
- Truong, T. N. J. Chem. Phys. 1994, 100, 8014.
- (1994) J. Chem. Phys. , vol.100 , pp. 8014
- Truong, T.N.¹

10
- 36449008916
- Bell, R. L.; Truong, T. N. J. Chem. Phys. 1994, 101, 10 442.
- (1994) J. Chem. Phys. , vol.101 , pp. 10442
- Bell, R.L.¹ Truong, T.N.²

11
- 0011243092
- Villà, J.; González-Lafont, A.; Lluch, J. M. J. Phys. Chem. 1996, 100, 19 389.
- (1996) J. Phys. Chem. , vol.100 , pp. 19389
- Villà, J.¹ González-Lafont, A.² Lluch, J.M.³

12
- 0029405807
- Hu, W.-P.; Truhlar, D. G. J. Am. Chem. Soc. 1995, 117, 10 726.
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 10726
- Hu, W.-P.¹ Truhlar, D.G.²

13
- 0002000203
- Baer, M., Ed.; Chemical Rubber: Boca Raton, FL, and references therein
- Truhlar, D. G.; Isaacson, A. D.; Garrett, B. C. In Theory of Chemical Reaction Dynamics; Baer, M., Ed.; Chemical Rubber: Boca Raton, FL, 1985; Vol. 4, pp 65-137 and references therein.
- (1985) Theory of Chemical Reaction Dynamics , vol.4 , pp. 65-137
- Truhlar, D.G.¹ Isaacson, A.D.² Garrett, B.C.³

14
- 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

15
- 0013616075
- González-Lafont, A.; Truong, T. N.; Truhlar, D. G. J. Phys. Chem. 1991, 95, 4618.
- (1991) J. Phys. Chem. , vol.95 , pp. 4618
- González-Lafont, A.¹ Truong, T.N.² Truhlar, D.G.³

16
- 0001049015
- Liu, Y.-P.; Lu, D.-h.; González-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 González-Lafont, A.³ Truhlar, D.G.⁴ Garrett, B.C.⁵

17
- 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

18
- 0029876743
- Kim, Y. J. Am. Chem. Soc. 1996, 118, 1522.
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 1522
- Kim, Y.¹

19
- 0029713761
- Hu, W.-P.; Truhlar D. G. J. Am. Chem. Soc. 1996, 118, 860.
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 860
- Hu, W.-P.¹ Truhlar, D.G.²

20
- 0002657076
- Chuang, Y.-Y.; Truhlar, D. G. J. Chem. Phys. 1997, 107, 83.
- (1997) J. Chem. Phys. , vol.107 , pp. 83
- Chuang, Y.-Y.¹ Truhlar, D.G.²

21
- 0345116888
- (a) González-Lafont, A.; Truong, T. N.; Truhlar, D. G. J. Phys. Chem. 1991, 95, 8875.
- (1991) J. Phys. Chem. , vol.95 , pp. 8875
- González-Lafont, A.¹ Truong, T.N.² Truhlar, D.G.³

22
- 36148982195
- (b) Nguyen, K. A.; Rossi, Y.; Truhlar, D. G. J. Chem. Phys. 1995, 103, 5522.
- (1995) J. Chem. Phys. , vol.103 , pp. 5522
- Nguyen, K.A.¹ Rossi, Y.² Truhlar, D.G.³

23
- 0001555303
- Hu, W.-P.; Liu, Y.-P.; Truhlar, D. G. J. Chem. Faraday Trans. 1994, 90, 1715.
- (1994) J. Chem. Faraday Trans. , vol.90 , pp. 1715
- Hu, W.-P.¹ Liu, Y.-P.² Truhlar, D.G.³

24
- 0001322774
- Bosch, E.; Moreno, M.; Lluch, J. M.; Bertrán, J. J. Chem. Phys. 1990, 93, 5685.
- (1990) J. Chem. Phys. , vol.93 , pp. 5685
- Bosch, E.¹ Moreno, M.² Lluch, J.M.³ Bertrán, J.⁴

25
- 11744253700
- Bosch, E.; Moreno, M.; Lluch J. M. Can. J. Chem. 1992, 70, 100.
- (1992) Can. J. Chem. , vol.70 , pp. 100
- Bosch, E.¹ Moreno, M.² Lluch, J.M.³

26
- 3843103632
- Bosch, E.; Moreno, M.; Lluch, J. M. Chem. Phys. Lett.. 1992, 196, 73.
- (1992) Chem. Phys. Lett.. , vol.196 , pp. 73
- Bosch, E.¹ Moreno, M.² Lluch, J.M.³

27
- 0007434027
- Bosch, E.; Moreno, M.; Lluch, J. M. Chem. Phys. 1992, 159, 99.
- (1992) Chem. Phys. , vol.159 , pp. 99
- Bosch, E.¹ Moreno, M.² Lluch, J.M.³

28
- 0000381947
- Truong, T. N.; McCammon, A. J. Am. Chem. Soc. 1991, 113, 7504.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 7504
- Truong, T.N.¹ McCammon, A.²

29
- 0004152918
- Wiley: New York
- Melander, N.; Saunders, W. H., Jr. In Reaction Rates of Isotopic Molecules; Wiley: New York, 1980.
- (1980) Reaction Rates of Isotopic Molecules
- Melander, N.¹ Saunders Jr., W.H.²

30
- 36549095692
- (a) González, C.; Schlegel, H. B. J. Phys. Chem. 1989, 90, 2154.
- (1989) J. Phys. Chem. , vol.90 , pp. 2154
- González, C.¹ Schlegel, H.B.²

31
- 33750614386
- (b) 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

32
- 0010922186
- Gaussian, Inc.: Pittsburgh, PA
- Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, N. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, V; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, V.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94, Revision C.3; Gaussian, Inc.: Pittsburgh, PA, 1995.
- (1995) Gaussian 94, Revision C.3
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³ Gill, P.M.W.⁴ Johnson, N.G.⁵ Robb, M.A.⁶ Cheeseman, J.R.⁷ Keith, T.⁸ Petersson, G.A.⁹ Montgomery, J.A.¹⁰ Raghavachari, K.¹¹ Al-Laham, M.A.¹² Zakrzewski, V.G.¹³ Ortiz, J.V.¹⁴ Foresman, J.B.¹⁵ Cioslowski, J.¹⁶ Stefanov, B.B.¹⁷ Nanayakkara, A.¹⁸ Challacombe, M.¹⁹ Peng, C.Y.²⁰ more..

33
- 24444468650
- Dewar, M. J. S.; Thiel, W. J. J. Am. Chem. Soc. 1977, 99, 4899.
- (1977) J. Am. Chem. Soc. , vol.99 , pp. 4899
- Dewar, M.J.S.¹ Thiel, W.J.²

34
- 0842341771
- Dewar M. J. S.; Zoebisch, E. G.; Healy, E. F.; Stewart, J. J. P. J. Am. Chem. Soc. 1985, 107, 3902.
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 3902
- Dewar, M.J.S.¹ Zoebisch, E.G.² Healy, E.F.³ Stewart, J.J.P.⁴

35
- 84988073214
- Stewart, J. J. P. J. Comput. Chem. 1989, 10, 221.
- (1989) J. Comput. Chem. , vol.10 , pp. 221
- Stewart, J.J.P.¹

36
- 84855841658
- (a) Ríos, M. A.; Rodríguez, J. J. Comput. Chem. 1992, 13, 860.
- (1992) J. Comput. Chem. , vol.13 , pp. 860
- Ríos, M.A.¹ Rodríguez, J.²

37
- 84986517513
- (b) Rodríguez, J. J. Comput. Chem. 1994, 15, 183.
- (1994) J. Comput. Chem. , vol.15 , pp. 183
- Rodríguez, J.¹

38
- 0000160445
- Burstein, K. Y.; Isaev, A. N. Theor. Chim. Acta, 1984, 64, 397.
- (1984) Theor. Chim. Acta , vol.64 , pp. 397
- Burstein, K.Y.¹ Isaev, A.N.²

39
- 0001678619
- (a) Bliznyuk, A. A.; Voityuk A. A. Theor. Chim. Acta 1987, 72, 223.
- (1987) Theor. Chim. Acta , vol.72 , pp. 223
- Bliznyuk, A.A.¹ Voityuk, A.A.²

40
- 0008345093
- (b) Bliznyuk, A. A.; Voityuk A. A. J. Mol. Struct. (THEOCHEM) 1988, 164, 343.
- (1988) J. Mol. Struct. (THEOCHEM) , vol.164 , pp. 343
- Bliznyuk, A.A.¹ Voityuk, A.A.²

41
- 5244232982
- University of Minnesota: Minneapolis, MN
- Hu, W.-P.; Lynch, G. C.; Liu, Y.-P.; Rossi, I.; Stewart, J. J. P.; Steckler, R.; Garrett, B. C.; Isaacson, A. D.; Lu, D.-h.; Melissas, V. S.; Truhlar, D. G. MORATE 6.5; University of Minnesota: Minneapolis, MN 1995.
- (1995) MORATE 6.5
- Hu, W.-P.¹ Lynch, G.C.² Liu, Y.-P.³ Rossi, I.⁴ Stewart, J.J.P.⁵ Steckler, R.⁶ Garrett, B.C.⁷ Isaacson, A.D.⁸ Lu, D.-H.⁹ Melissas, V.S.¹⁰ Truhlar, D.G.¹¹

42
- 0001046057
- Garrett, B. C.; Joseph, T.; Truong, T. N.; Truhlar, D. G. Chem. Phys. 1989, 136, 271.
- (1989) Chem. Phys. , vol.136 , pp. 271
- Garrett, B.C.¹ Joseph, T.² Truong, T.N.³ Truhlar, D.G.⁴

43
- 5344237748
- University of Minnesota, Minneapolis, MN
- Steckler, R.; Hu, W.-P.; Liu, Y.-P.; Lynch, G. C.; Garrett, B. C.; Isaacson, A. D.; Lu, D.-h.; Melissas, V. S.; Rai, S. N.; Hancock, G. C.; Lauderdale, J.; Joseph, T.; Truhlar, D. G. POLYRATE 6.5, University of Minnesota, Minneapolis, MN, 1995.
- (1995) POLYRATE 6.5
- Steckler, R.¹ Hu, W.-P.² Liu, Y.-P.³ Lynch, G.C.⁴ Garrett, B.C.⁵ Isaacson, A.D.⁶ Lu, D.-H.⁷ Melissas, V.S.⁸ Rai, S.N.⁹ Hancock, G.C.¹⁰ Lauderdale, J.¹¹ Joseph, T.¹² Truhlar, D.G.¹³

44
- 0001555150
- Lu, D.-h.; Maurice, D.; Truhlar, D. G. J. Am. Chem. Soc. 1990, 112, 6206.
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 6206
- Lu, D.-H.¹ Maurice, D.² Truhlar, D.G.³

45
- 4243462913
- Fernández-Ramos, A.; Rodríguez-Otero, J.; Ríos, M. A. J. Chem. Phys. 1997, 107, 2407.
- (1997) J. Chem. Phys. , vol.107 , pp. 2407
- Fernández-Ramos, A.¹ Rodríguez-Otero, J.² Ríos, M.A.³

46
- 0040624818
- (a) Cybulsky, S. M.; Scheiner, S. J. Am. Chem. Soc. 1989, 111, 23.
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 23
- Cybulsky, S.M.¹ Scheiner, S.²

47
- 0343676011
- (b) Scheiner, S. J. Mol. Struct. (THEOCHEM) 1994, 307, 65.
- (1994) J. Mol. Struct. (THEOCHEM) , vol.307 , pp. 65
- Scheiner, S.¹

48
- 0001658572
- Duan, X.; Scheiner, S. J. Am. Chem. Soc. 1992, 114, 5849.
- (1992) Am. Chem. Soc. , vol.114 , pp. 5849
- Duan, X.¹ Scheiner, S.J.²

49
- 0000769087
- Ríos, M. A.; Rodríguez J. J. Mol. Struct.(THEOCHEM) 1991, 228, 149.
- (1991) J. Mol. Struct.(THEOCHEM) , vol.228 , pp. 149
- Ríos, M.A.¹ Rodríguez, J.²

50
- 0005200258
- (b) Graña, A. M.; Ríos, M. A.; Rodríguez, J. Struct. Chem. 1991, 2, 575.
- (1991) Struct. Chem. , vol.2 , pp. 575
- Graña, A.M.¹ Ríos, M.A.² Rodríguez, J.³

51
- 0029971658
- Huskey, W. P. J. Am. Chem. Soc. 1996, 118, 1663.
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 1663
- Huskey, W.P.¹

52
- 1842332702
- García-Viloca, M.; González-Lafont, A.; Lluch, J. M. J. Am. Chem. Soc. 1997, 119, 1081.
- (1997) J. Am. Chem. Soc. , vol.119 , pp. 1081
- García-Viloca, M.¹ González-Lafont, A.² Lluch, J.M.³

53
- 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

54
- 0000024739
- Storer, J. W.; Houk, K. N. J. Am. Chem. Soc. 1993, 115, 10 426.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 10426
- Storer, J.W.¹ Houk, K.N.²

55
- 0031248085
- Bell, R. L.; Truong, T. N. J. Phys. Chem. 1997, 101, 7802.
- (1997) J. Phys. Chem. , vol.101 , pp. 7802
- Bell, R.L.¹ Truong, T.N.²

56
- 0000614245
- Smedarchina, Z.; Fernández-Ramos, A.; Ríos, M. A. J. Chem. Phys. 1997, 106, 3956.
- (1997) J. Chem. Phys. , vol.106 , pp. 3956
- Smedarchina, Z.¹ Fernández-Ramos, A.² Ríos, M.A.³

57
- 33749311086
- (a) Garrett,. C.; Truhlar, D. G. J. Chem. Phys. 1983, 79, 4931.
- (1983) J. Chem. Phys. , vol.79 , pp. 4931
- Garrett, C.¹ Truhlar, D.G.²

58
- 0001227051
- (b) Lynch, G. C.; Truhlar, D. G.; Garrett, B. C. J. Chem. Phys. 1989, 90, 3102.
- (1989) J. Chem. Phys. , vol.90 , pp. 3102
- Lynch, G.C.¹ Truhlar, D.G.² Garrett, B.C.³

59
- 0030219446
- (c) Allison, T. C.; Lynch, G. C.; Truhlar, D. G.; Gordon, M. S. J. Phys. Chem. 1996, 100, 13 575.
- (1996) J. Phys. Chem. , vol.100 , pp. 13575
- Allison, T.C.¹ Lynch, G.C.² Truhlar, D.G.³ Gordon, M.S.⁴

60
- 0000875871
- Kim, Y.; Truhlar, D. G.; Kreevoy, M. M. J. Am. Chem. Soc. 1991, 113, 7837.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 7837
- Kim, Y.¹ Truhlar, D.G.² Kreevoy, M.M.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.