SCOPUS 정보 검색 플랫폼

Volumn 100, Issue 5-6, 1998, Pages 329-332

High level ab initio and density functional theory study of bond selective dissociation of CH3SH and CH3CH2SH radical cations

(1) Jursic, Branko S a

a UNIVERSITY OF NEW ORLEANS (United States)

Author keywords

Ab inito; Bond dissociation energies; Density functional theory; Radical cations; Thiols

Indexed keywords

EID: 0032509031 PISSN: 1432881X EISSN: None Source Type: Journal
DOI: 10.1007/s002140050394 Document Type: Article

Times cited : (10)

References (40)

1
- 37049179601
- Zhu L, Kleiman V, Li X, Lu SP, Trentelman K, Gordon RJ (1995) Science 270:77
- (1995) Science , vol.270 , pp. 77
- Zhu, L.¹ Kleiman, V.² Li, X.³ Lu, S.P.⁴ Trentelman, K.⁵ Gordon, R.J.⁶

2
- 0001206845
- Nakajima T, Lambropoulos P (1993) Phys Rev Lett 70:1081
- (1993) Phys Rev Lett , vol.70 , pp. 1081
- Nakajima, T.¹ Lambropoulos, P.²

3
- 0028462268
- Nakajima T, Lambropoulos P (1994) Phys Rev A 50:595
- (1994) Phys Rev A , vol.50 , pp. 595
- Nakajima, T.¹ Lambropoulos, P.²

4
- 0001483209
- Van der Wal RL, Scot JL, Crim FF, Wiede K, Schinke R (1991) Chem Phys 94:3548
- (1991) Chem Phys , vol.94 , pp. 3548
- Van Der Wal, R.L.¹ Scot, J.L.² Crim, F.F.³ Wiede, K.⁴ Schinke, R.⁵

5
- 0000870785
- Butler JL, Hintsa EJ, Shane SF, Lee YT (1987) J Chem Phys 86:2951
- (1987) J Chem Phys , vol.86 , pp. 2951
- Butler, J.L.¹ Hintsa, E.J.² Shane, S.F.³ Lee, Y.T.⁴

6
- 0000965720
- Chen Y-J, Fenn PT, Stimson S, Ng CY (1997) J Chem Phys 106:8274
- (1997) J Chem Phys , vol.106 , pp. 8274
- Chen, Y.-J.¹ Fenn, P.T.² Stimson, S.³ Ng, C.Y.⁴

7
- 0004124077
- Baer T, Ng CY, Powis I (eds) Wiley, New York
- Ng CY (1996) In: Baer T, Ng CY, Powis I (eds) The structure, energetics, and dynamics of organic ions. Wiley, New York
- (1996) The Structure, Energetics, and Dynamics of Organic Ions
- Ng, C.Y.¹

8
- 0013553126
- Lias SG, Bartmess JE, Holmes JL, Levin RD, Mallard WG (1988) J Phys Chem Ref Data 17 Suppl 1
- (1988) J Phys Chem Ref Data , vol.17 , Issue.SUPPL. 1
- Lias, S.G.¹ Bartmess, J.E.² Holmes, J.L.³ Levin, R.D.⁴ Mallard, W.G.⁵

9
- 0004133516
- Gaussian, Pittsburgh, Pa
- Frisch MJ, Trucks GW, Schlegel BH, Gill PMW, Johnson BG, Robb MA, Cheeseman JR, Keith T, Petersson GA, Montgomery JA, Raghavachari K, Al-Laham MA, Zakrzewski VG, Ortiz JV, Foresman JB, Cioslowski J, Stefanov BB, Nanayakkara A, Challacombe M, Peng CY, Ayala PY, Chen W, Wong M.W, Andres JL, Replogle ES, Gomperts R, Martin RL, Fox DJ, Binkley JS, Defrees DJ, Baker J, Stewart JP, Head-Gordon M, Gonzalez C, Pople JA (1995) Gaussian 94, revision D.4. Gaussian, Pittsburgh, Pa
- (1995) Gaussian 94, Revision D.4
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, B.H.³ Gill, P.M.W.⁴ Johnson, B.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..

10
- 2342430094
- Roothan CCJ (1951) Rev Mod Phys 23:69
- (1951) Rev Mod Phys , vol.23 , pp. 69
- Roothan, C.C.J.¹

11
- 6944251055
- Møller C, Plesset MS (1934) Phys Rev 46:618
- (1934) Phys Rev , vol.46 , pp. 618
- Møller, C.¹ Plesset, M.S.²

12
- 0004214970
- Frisch MJ, Head-Gordon M, Pople JA (1990) Chem Phys Lett 166:281
- (1990) Chem Phys Lett , vol.166 , pp. 281
- Frisch, M.J.¹ Head-Gordon, M.² Pople, J.A.³

13
- 36449007061
- Petersson GA, Tensfeldt T, Montgomery JA Jr (1991) J Chem Phys 94:6091
- (1991) J Chem Phys , vol.94 , pp. 6091
- Petersson, G.A.¹ Tensfeldt, T.² Montgomery J.A., Jr.³

14
- 0038269037
- Ochterski JW, Petersson GA, Montgomery JA Jr (1996) J Chem Phys 104:2598
- (1996) J Chem Phys , vol.104 , pp. 2598
- Ochterski, J.W.¹ Petersson, G.A.² Montgomery J.A., Jr.³

15
- 36549094943
- Pople JA, Head-Gordon M, Fox DJ, Raghavachari K, Curtiss LA (1989) J Chem Phys 90:5622
- (1989) J Chem Phys , vol.90 , pp. 5622
- Pople, J.A.¹ Head-Gordon, M.² Fox, D.J.³ Raghavachari, K.⁴ Curtiss, L.A.⁵

16
- 0000664876
- Curtiss LA, Jones C, Trucks GW, Raghavachari K, Pople JA (1990) J Chem Phys 93:2537
- (1990) J Chem Phys , vol.93 , pp. 2537
- Curtiss, L.A.¹ Jones, C.² Trucks, G.W.³ Raghavachari, K.⁴ Pople, J.A.⁵

17
- 0041401966
- Curiss LA, Raghavachari K, Trucks GW, Pople JA (1991) J Chem Phys 94:7221
- (1991) J Chem Phys , vol.94 , pp. 7221
- Curiss, L.A.¹ Raghavachari, K.² Trucks, G.W.³ Pople, J.A.⁴

18
- 36449002507
- Curiss LA, Raghavachari K, Pople JA (1993) J Chem Phys 98:1293
- (1993) J Chem Phys , vol.98 , pp. 1293
- Curiss, L.A.¹ Raghavachari, K.² Pople, J.A.³

19
- 0000189651
- Becke AD (1993) J Chem Phys 98:5648
- (1993) J Chem Phys , vol.98 , pp. 5648
- Becke, A.D.¹

20
- 0345491105
- Lee C, Yang W, Parr RG (1988) Phys Rev B 37:785
- (1988) Phys Rev B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

21
- 4243553426
- Becke AD (1988) Phys Rev A 38:3098
- (1988) Phys Rev A , vol.38 , pp. 3098
- Becke, A.D.¹

22
- 0003460779
- McGraw-Hill, New York
- Slater JC (1974) Quantum theory of molecular and solids, vol. 4. McGraw-Hill, New York
- (1974) Quantum Theory of Molecular and Solids , vol.4
- Slater, J.C.¹

23
- 0000216001
- Vosko SH, Wilk L, Nusair M (1980) Can J Phys 58:1200
- (1980) Can J Phys , vol.58 , pp. 1200
- Vosko, S.H.¹ Wilk, L.² Nusair, M.³

24
- 36549091139
- Frisch MJ, Pople JA, Binkley JS (1984) J Chem Phys 80:3265
- (1984) J Chem Phys , vol.80 , pp. 3265
- Frisch, M.J.¹ Pople, J.A.² Binkley, J.S.³

25
- 24444463226
- Jursic BS (1995) Chem Phys Lett 236:206
- (1995) Chem Phys Lett , vol.236 , pp. 206
- Jursic, B.S.¹

26
- 0002822866
- Jursic BS (1996) Int J Quantum Chem 57:213
- (1996) Int J Quantum Chem , vol.57 , pp. 213
- Jursic, B.S.¹

27
- 0001970146
- Jursic BS (1996) Int J Quantum Chem 58:41
- (1996) Int J Quantum Chem , vol.58 , pp. 41
- Jursic, B.S.¹

28
- 0002105694
- Jursic BS (1996) J Mol Struct (Theochem) 365:47
- (1996) J Mol Struct (Theochem) , vol.365 , pp. 47
- Jursic, B.S.¹

29
- 0001940594
- Jursic BS (1996) J Mol Struct (Theochem) 366:97
- (1996) J Mol Struct (Theochem) , vol.366 , pp. 97
- Jursic, B.S.¹

30
- 0041936228
- Jursic BS (1995) J Mol Struct (Theochem) 358:145
- (1995) J Mol Struct (Theochem) , vol.358 , pp. 145
- Jursic, B.S.¹

31
- 0002851829
- Jursic BS (1997) J Mol Struct (Theochem) 389:75
- (1997) J Mol Struct (Theochem) , vol.389 , pp. 75
- Jursic, B.S.¹

32
- 0001614415
- Jursic BS (1997) J Mol Struct (Theochem) 389:251
- (1997) J Mol Struct (Theochem) , vol.389 , pp. 251
- Jursic, B.S.¹

33
- 0013523405
- Jursic BS (1998) J Mol Struct (Theochem) 434:67
- (1998) J Mol Struct (Theochem) , vol.434 , pp. 67
- Jursic, B.S.¹

34
- 0000214716
- Jursic BS (1997) J Mol Struct (Theochem) 64:263
- (1997) J Mol Struct (Theochem) , vol.64 , pp. 263
- Jursic, B.S.¹

35
- 0000689948
- Jursic BS, Martin R (1996) Int J Quantum Chem 59:495
- (1996) Int J Quantum Chem , vol.59 , pp. 495
- Jursic, B.S.¹ Martin, R.²

36
- 0030565563
- Jursic BS, Timberlake JW, Engel PS (1996) Tetrahedron Lett 37:6473
- (1996) Tetrahedron Lett , vol.37 , pp. 6473
- Jursic, B.S.¹ Timberlake, J.W.² Engel, P.S.³

37
- 0000534991
- Jursic BS (1996) J Mol Struct (Theochem) 366:103
- (1996) J Mol Struct (Theochem) , vol.366 , pp. 103
- Jursic, B.S.¹

38
- 0002756680
- Jursic BS (1996) J Mol Struct (Theochem) 370:65
- (1996) J Mol Struct (Theochem) , vol.370 , pp. 65
- Jursic, B.S.¹

39
- 0000394516
- Jursic BS (1997) Int J Quantum Chem 62:291
- (1997) Int J Quantum Chem , vol.62 , pp. 291
- Jursic, B.S.¹

40
- 0002966099
- Jursic BS (1998) J Mol Struct (Theochem) 434:37
- (1998) J Mol Struct (Theochem) , vol.434 , pp. 37
- Jursic, B.S.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.