SCOPUS 정보 검색 플랫폼

Volumn 117, Issue 7, 2002, Pages 3224-3231

Thermal decomposition of ethanol. I. Ab initio molecular orbital/Rice-Ramsperger-Kassel-Marcus prediction of rate constant and product branching ratios

(3) Park, J a Zhu, R S a Lin, M C a

a EMORY UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ACTIVATION; CHEMICAL BONDS; COMPUTATIONAL METHODS; DEHYDRATION; HIGH PRESSURE EFFECTS; MOLECULAR DYNAMICS; PHASE TRANSITIONS; POTENTIAL ENERGY; PYROLYSIS; RATE CONSTANTS; THERMAL EFFECTS; WATER;

ELIMINATION PROCESS; INTERNAL ENERGY; MOLECULAR ORBITAL; POTENTIAL ENERGY SURFACE; PRODUCT BRANCHING RATIOS; UNIMOLECULAR DECOMPOSITION;

ETHANOL;

EID: 0037103923 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1490601 Document Type: Article

Times cited : (133)

References (38)

1
- 84986849059
- (1976) Int. J. Chem. Kinet. , vol.8 , pp. 173
- Tsang, W.¹

2
- 0010275165
- (1990) Combust. Sci. Technol. , vol.71 , pp. 219
- Choudhury, T.K.¹ Lin, M.C.² Lin, C.-Y.³ Sanders, W.A.⁴

3
- 0033098763
- (1999) Int. J. Chem. Kinet. , vol.31 , pp. 183
- Marinov, N.M.¹

4
- 23544468082
- (1956) Proc. R. Soc. London, Ser. A , vol.237-242 S
- Cullis, C.F.¹ Newitt, E.J.²

5
- 0010251594
- (1960) Proc. R. Soc. London, Ser. A , vol.245 , pp. 75
- Freeman, G.R.¹

6
- 0002210531
- (1960) Trans. Faraday Soc. , vol.56 , pp. 55
- Barnard, J.A.¹ Hughes, H.W.D.²

7
- 0001471284
- (1968) J. Am. Chem. Soc. , vol.90 , pp. 7190
- Bansal, K.M.¹ Freeman, G.R.²

8
- 0010222459
- (1969) Proc. R. Soc. London, Ser. A , vol.312 , pp. 399
- Brown, J.¹ Tipper, C.F.H.²

9
- 23544464106
- (1991) Russ. Chem. Phys. , vol.8-9
- Borisov, A.A.¹ Zamanskii, V.M.² Konnov, A.A.³ Lisyanskii, V.V.⁴ Rusakov, S.A.⁵ Skachkov, G.I.S.⁶

10
- 0035576635
- (2001) Int. J. Chem. Kinet. , vol.33 , pp. 859
- Li, J.¹ Kazakov, A.² Dryer, F.L.³

11
- 0010277330
- Experimental and computational studies of the unimolecular decomposition of ethanol
- 2001 Eastern States Section Fall Technical Meeting, Hilton Head Island, S.C., Dec. 4-7, 2001
- Park, J.¹ Chen, R.² Chen, J.³ Lin, M.C.⁴

12
- 0035827801
- (2001) J. Chem. Phys. , vol.115 , pp. 849
- Shu, J.¹ Lin, J.J.² Lee, Y.T.³ Yang, X.⁴

13
- 0021411455
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 2255
- Yamabe, T.¹ Koizumi, M.² Yamashita, K.³ Tachibana, A.⁴

14
- 0001094684
- (1994) J. Phys. Chem. , vol.98 , pp. 10779
- Butkovskaya, N.I.¹ Zhao, Y.² Setser, D.W.³

15
- 0000189651
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

16
- 77956779984
- (1992) J. Chem. Phys. , vol.96 , pp. 2155
- Becke, A.D.¹

17
- 0001161681
- (1992) J. Chem. Phys. , vol.97 , pp. 9173
- Becke, A.D.¹

18
- 0345491105
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

19
- 84873055189
- (Wiley, New York)
- (1986) Ab Initio Molecular Orbital Theory
- Hehre, W.¹ Radom, L.² Schleyer, P.V.R.³ Pople, J.A.⁴

20
- 36549095692
- (1989) J. Phys. Chem. , vol.90 , pp. 2154
- Gonzalez, C.¹ Schlegel, H.B.²

21
- 36449008175
- (1995) J. Chem. Phys. , vol.103 , pp. 7414
- Mebel, A.M.¹ Morokuma, K.² Lin, M.C.³

22
- 0004133516
- Gaussian, Inc., Pittsburgh PA
- (1998) Gaussian 98, Revision A. 1
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³

23
- 0010253518
- MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from J. Almlöf, R. D. Amos, A. Berning et al.

24
- 0003596337
- (1999) Variflex: Version 1.00
- Klippenstein, S.J.¹ Wagner, A.F.² Dunbar, R.C.³ Wardlaw, D.M.⁴ Robertson, S.H.⁵

25
- 0003768228
- (Blackwell Scientific, Carlton, Australia)
- (1990) Theory of Unimolecular and Recombination Reactions
- Gilbert, R.G.¹ Smith, S.C.²

26
- 0004255534
- (Wiley, New York)
- (1996) Unimolecular Reactions
- Holbrook, K.A.¹ Pilling, M.J.² Robertson, S.H.³

27
- 0001006879
- (1993) J. Phys. Chem. , vol.97 , pp. 4360
- Khodabandeh, S.¹ Carter, E.A.²

28
- 33845375231
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 270
- Luke, B.T.¹ Pople, J.A.² Krog-Jesperson, M.B.³ Apeloig, Y.⁴ Karni, M.⁵ Chandrasekhar, J.⁶ Schleyer, P.R.⁷

29
- 0000665858
- (1982) Chem. Phys. Lett. , vol.92 , pp. 459
- Ha, T.K.¹ Nguyen, M.T.² Vanquickenborne, L.G.³

30
- 0001542197
- (1982) J. Am. Chem. Soc. , vol.104 , pp. 5884
- Kohler, H.J.¹ Lischka, H.²

31
- 0001290165
- (1992) J. Phys. Chem. , vol.96 , pp. 1515
- Gallo, M.M.¹ Schaefer H.F. III²

32
- 57249113674
- (2001) Faraday Discuss. , vol.119 , pp. 191
- Xia, W.S.¹ Zhu, R.S.² Lin, M.C.³ Mebel, A.M.⁴

33
- 36549101797
- (1988) J. Chem. Phys. , vol.89 , pp. 1327
- Jensen, P.¹ Bunker, P.R.²

34
- 0010225797
- (2001) Chem. Phys. Lett. , vol.336 , pp. 529
- Kobayashi, Y.¹ Nakano, H.² Hirao, K.³

36
- 0000910209
- (1977) Can. J. Chem. , vol.55 , pp. 3007
- Mourits, F.M.¹ Rummens, F.H.²

37
- 0010225956
- (1982) Proc. Int. Symp. Shock Tubes Waves , vol.13 , pp. 834
- Natarajan, K.¹ Bhaskaran, K.A.²

38
- 0010253409
- (private communication)
- Lin, J.J.¹

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