SCOPUS 정보 검색 플랫폼

Volumn 102, Issue 52, 1998, Pages 10805-10812

Unimolecular decomposition of formaldehyde: H2CO → H2 + CO. Part I: Ab initio reaction path and variational transition state rate constants

(3) Martins, Leila M M De A a Arbilla, Graciela a Da Silva, Edilson C a

a Instituto de Química (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000135429 PISSN: 10895639 EISSN: None Source Type: Journal
DOI: 10.1021/jp982962m Document Type: Article

Times cited : (20)

References (41)

1
- 0001308871
- Young, E. S.; Moore, C. B. J. Chem. Phys. 1973, 58, 3988.
- (1973) J. Chem. Phys. , vol.58 , pp. 3988
- Young, E.S.¹ Moore, C.B.²

2
- 0000738450
- Houston, P. L.; Moore, C. B. J. Chem. Phys. 1976, 65, 757.
- (1976) J. Chem. Phys. , vol.65 , pp. 757
- Houston, P.L.¹ Moore, C.B.²

3
- 0000812257
- Moore, C. B.; Weisshaar, J. C. Annu. Rev. Phys. Chem. 1983, 34, 525.
- (1983) Annu. Rev. Phys. Chem. , vol.34 , pp. 525
- Moore, C.B.¹ Weisshaar, J.C.²

4
- 36549102897
- Bamford, D. J.; Filseth, S. V.; Foltz, M. F.; Hepburn, J. W.; Moore, C. B. J. Chem. Phys. 1985, 82, 3032.
- (1985) J. Chem. Phys. , vol.82 , pp. 3032
- Bamford, D.J.¹ Filseth, S.V.² Foltz, M.F.³ Hepburn, J.W.⁴ Moore, C.B.⁵

5
- 36549100308
- Debarre, D.; Lefebre, M.; Péalat, M.; Taran, J. P. E.; Bamford, D. J.; Moore, C. B. J. Chem. Phys. 1985, 83, 4476.
- (1985) J. Chem. Phys. , vol.83 , pp. 4476
- Debarre, D.¹ Lefebre, M.² Péalat, M.³ Taran, J.P.E.⁴ Bamford, D.J.⁵ Moore, C.B.⁶

6
- 0000108110
- Butenhoff, T. J.; Carleton, K. L.; Moore, C. B. J. Chem. Phys. 1990, 92, 377.
- (1990) J. Chem. Phys. , vol.92 , pp. 377
- Butenhoff, T.J.¹ Carleton, K.L.² Moore, C.B.³

7
- 0030598797
- Terentis, A. C.; Kable, S. H. Chem. Phys. Lett. 1996, 258, 626.
- (1996) Chem. Phys. Lett. , vol.258 , pp. 626
- Terentis, A.C.¹ Kable, S.H.²

8
- 36749111819
- Goddard, J. D.; Schaefer, H. F., III J. Chem. Phys. 1979, 70, 5117; see also references cited therein.
- (1979) J. Chem. Phys. , vol.70 , pp. 5117
- Goddard, J.D.¹ Schaefer III, H.F.²

9
- 36749106009
- Goddard, J. D.; Yamaguchi, Y.; Schaefer, H. F., III J. Chem. Phys. 1981, 75, 3459.
- (1981) J. Chem. Phys. , vol.75 , pp. 3459
- Goddard, J.D.¹ Yamaguchi, Y.² Schaefer III, H.F.³

10
- 0001535226
- Dupuis, M.; Lester, W. A., Jr.; Lengsfield, B. H., III; Lui, B. J. Chem. Phys. 1983, 79, 6167.
- (1983) J. Chem. Phys. , vol.79 , pp. 6167
- Dupuis, M.¹ Lester Jr., W.A.² Lengsfield III, B.H.³ Lui, B.⁴

11
- 36549090835
- Frisch, M. J.; Binkley, J. S.; Schaefer, H. F., III J. Chem. Phys. 1984, 81, 1882.
- (1984) J. Chem. Phys. , vol.81 , pp. 1882
- Frisch, M.J.¹ Binkley, J.S.² Schaefer III, H.F.³

12
- 0000654956
- Scuseria, G. E.; Schaefer, H. F., III J. Chem. Phys. 1989, 90, 3629.
- (1989) J. Chem. Phys. , vol.90 , pp. 3629
- Scuseria, G.E.¹ Schaefer III, H.F.²

13
- 0001319230
- Green, W. H., Jr.; Willetts, A.; Jayatilaka, D.; Handy, N. C. Chem. Phys. Lett. 1990, 169, 127.
- (1990) Chem. Phys. Lett. , vol.169 , pp. 127
- Green Jr., W.H.¹ Willetts, A.² Jayatilaka, D.³ Handy, N.C.⁴

14
- 0001018977
- Frisch, M. J.; Krishnan, K.; Pople J. A. J. Phys. Chem. 1981, 85, 1467.
- (1981) J. Phys. Chem. , vol.85 , pp. 1467
- Frisch, M.J.¹ Krishnan, K.² Pople, J.A.³

15
- 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

16
- 0000575403
- Peslherbe, G. H.; Hase, W. L. J. Chem. Phys. 1996, 104, 7882.
- (1996) J. Chem. Phys. , vol.104 , pp. 7882
- Peslherbe, G.H.¹ Hase, W.L.²

17
- 0018784186
- Miller, W. H. J. Am. Chem. Soc. 1979, 101, 6810.
- (1979) J. Am. Chem. Soc. , vol.101 , pp. 6810
- Miller, W.H.¹

18
- 0001403353
- Troe, J. J. Phys. Chem. 1984, 88, 4375.
- (1984) J. Phys. Chem. , vol.88 , pp. 4375
- Troe, J.¹

19
- 0002000203
- Generalized Transition State Theory
- Baer, M., Ed.; CRC Press: Boca Raton, FL
- Truhlar, D. G.; Isaacson, A. D.; Garrett, B. C. Generalized Transition State Theory. In The Theory of Chemical Reaction Dynamics; Baer, M., Ed.; CRC Press: Boca Raton, FL, 1985; Vol. 4, pp 65-137.
- (1985) The Theory of Chemical Reaction Dynamics , vol.4 , pp. 65-137
- Truhlar, D.G.¹ Isaacson, A.D.² Garrett, B.C.³

20
- 4243125018
- Baldridge, K. M.; Gordon, M. S.; Steckler, R.; Truhlar, D. G. J. Phys. Chem. 1989, 93, 5107.
- (1989) J. Phys. Chem. , vol.93 , pp. 5107
- Baldridge, K.M.¹ Gordon, M.S.² Steckler, R.³ Truhlar, D.G.⁴

21
- 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

22
- 19644386743
- To be published
- Martins, L. M. M. de A.; Arbilla, G.; Silva, E. C. da. To be published.
- Martins, L.M.M.D.A.¹ Arbilla, G.² Da Silva, E.C.³

23
- 36849140788
- (a) Huzinaga, S. J. Chem. Phys. 1965, 42, 1293.
- (1965) J. Chem. Phys. , vol.42 , pp. 1293
- Huzinaga, S.¹

24
- 28944448300
- (b) Dunning, T. H. J. Chem Phys. 1970, 53, 2823.
- (1970) J. Chem Phys. , vol.53 , pp. 2823
- Dunning, T.H.¹

25
- 19644394756
- Catal. 1, Prog. No. OG01
- Dupuis, M.; Wendolowiski, J. J.; Spangler, D. Natl. Resour. Comput. Chem. Software, Catal. 1, Prog. No. OG01, 1980.
- (1980) Natl. Resour. Comput. Chem. Software
- Dupuis, M.¹ Wendolowiski, J.J.² Spangler, D.³

26
- 5244327210
- University of Minneapolis
- (a) Stecker, R.; Hu, W. P.; Liu, Y. P.; Lynch, G. C.; Garrett, B. C.; Isaacson, A. D.; Lu, D. H.; Melissas, V. S.; Truong, T. N.; Rai, S. N.; Hancock, G. C.; Lauderdale, J. G.; Joseph, T.; Truhlar, D. G. POLYRATE, Version 6.2, University of Minneapolis, 1994.
- (1994) POLYRATE, Version 6.2
- Stecker, 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 Truong, T.N.⁹ Rai, S.N.¹⁰ Hancock, G.C.¹¹ Lauderdale, J.G.¹² Joseph, T.¹³ Truhlar, D.G.¹⁴

27
- 0003945128
- University of Minneapolis
- (b) Chuang, Y.-Y.; Coitiño, E. L.; Hu, W.-P.; Liu, Y.-P.; Lynch, G. C.; Nguyen, K. A.; Jackels, C. F.; Gu, M. Z.; Rossi, I.; Fast, P.; Clayton, S.; Melissas, V. S.; Garrett, B. C.; Isaacson, A. D.; Truhlar, D. G. POLYRATE, Version 7.0, University of Minneapolis, 1996.
- (1996) POLYRATE, Version 7.0
- Chuang, Y.-Y.¹ Coitiño, E.L.² Hu, W.-P.³ Liu, Y.-P.⁴ Lynch, G.C.⁵ Nguyen, K.A.⁶ Jackels, C.F.⁷ Gu, M.Z.⁸ Rossi, I.⁹ Fast, P.¹⁰ Clayton, S.¹¹ Melissas, V.S.¹² Garrett, B.C.¹³ Isaacson, A.D.¹⁴ Truhlar, D.G.¹⁵

28
- 0003768228
- Blackwell Scientific Publications: Oxford
- Gilbert, R. G.; Smith, S. C. Theory of Unimolecular and Recombination Reactions; Blackwell Scientific Publications: Oxford, 1990.
- (1990) Theory of Unimolecular and Recombination Reactions
- Gilbert, R.G.¹ Smith, S.C.²

29
- 84988122931
- Baker, J. J. Comput. Chem. 1986, 7, 385.
- (1986) J. Comput. Chem. , vol.7 , pp. 385
- Baker, J.¹

30
- 36749114393
- Cerjan, C. J.; Miller, W. H. J. Chem. Phys. 1981, 75, 2800.
- (1981) J. Chem. Phys. , vol.75 , pp. 2800
- Cerjan, C.J.¹ Miller, W.H.²

31
- 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

32
- 0000258005
- Truhlar, D. G.; Kuppermann, A. J. Chem. Phys. 1970, 52, 3842.
- (1970) J. Chem. Phys. , vol.52 , pp. 3842
- Truhlar, D.G.¹ Kuppermann, A.²

33
- 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

34
- 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

35
- 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.; Lauderdale, J. G.; Joseph, T.; Truhlar, D. G. Computer Phys. Comm.1992, 71, 235.
- (1992) Computer Phys. Comm. , 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.¹⁰ Lauderdale, J.G.¹¹ Joseph, T.¹² Truhlar, D.G.¹³

36
- 33845555998
- Skodje, R. T.; Truhlar, D. G.; Garrett, B. C. J. Phys. Chem. 1981, 85, 3019.
- (1981) J. Phys. Chem. , vol.85 , pp. 3019
- Skodje, R.T.¹ Truhlar, D.G.² Garrett, B.C.³

37
- 79954585410
- Liu, Y. P.; Lynch, G. C.; Truong, T. N.; Lu, D. H.; Truhlar, D. G. 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

38
- 0002613305
- Yamada, K.; Nakagawa, T.; Kuchitsu, K.; Morino Y. J. Mol. Spectrosc. 1971, 38, 70.
- (1971) J. Mol. Spectrosc. , vol.38 , pp. 70
- Yamada, K.¹ Nakagawa, T.² Kuchitsu, K.³ Morino, Y.⁴

39
- 0018784186
- Miller, W. H. J. Am. Chem. Soc. 1979, 101, 6810.
- (1979) J. Am. Chem. Soc. , vol.101 , pp. 6810
- Miller, W.H.¹

40
- 9744241235
- Miller, W. H. Chem. Rev. 1987, 87, 19.
- (1987) Chem. Rev. , vol.87 , pp. 19
- Miller, W.H.¹

41
- 19644389127
- Frost, W. J. Phys. Chem. 1983, 87, 4489.
- (1983) J. Phys. Chem. , vol.87 , pp. 4489
- Frost, W.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.