SCOPUS 정보 검색 플랫폼 - 논문 보기

메뉴 건너뛰기

Journal of Molecular Catalysis A: Chemical

Volumn 188, Issue 1-2, 2002, Pages 173-187

Issues involved in using MCSCF to investigate catalytic sites involving transition metals

(2) Kim, Bryan H a Lund, Carl R F a

a SUNY Buffalo ^* (United States)

Author keywords

DFT; Iron carbonyl; Iron chloride; MCSCF

Indexed keywords

ELECTRONIC STRUCTURE; MOLECULES; TRANSITION METALS;

HETEROGENOUS CATALYTIC SITES;

CATALYSIS;

CARBONYL IRON; FERRIC CHLORIDE;

ARTICLE; CATALYSIS; DENSITY; ELECTRONICS; GEOMETRY; OXIDATION; QUANTUM MECHANICS; STANDARDIZATION;

EID: 0037200976 PISSN: 13811169 EISSN: None Source Type: Journal
DOI: 10.1016/S1381-1169(02)00243-1 Document Type: Article

Times cited : (3)

References (31)

1
- 0000624973
- (1984) J. Catal. , vol.86 , pp. 392
- Leglise, J.¹ Petunchi, J.O.² Hall, W.K.³

2
- 0000281222
- (1981) J. Catal. , vol.68 , pp. 166
- Fu, C.M.¹ Korchak, V.N.² Hall, W.K.³

3
- 0003159951
- (1998) Catal. Today , vol.42 , pp. 73
- Chen, H.Y.¹ Sachtler, W.M.H.²

4
- 0000243640
- (1998) Catal. Lett. , vol.50 , pp. 125
- Chen, H.Y.¹ Sachtler, W.M.H.²

5
- 0002411869
- (2001) Catal. Lett. , vol.73 , pp. 73
- Sang, C.¹ Lund, C.R.F.²

6
- 0040687376
- (1998) Chem. Phys. Lett. , vol.294 , pp. 37
- Hübner, O.¹ Termath, V.² Beming, A.³ Sauer, J.⁴

7
- 0000142585
- (1999) Chem. Phys. Lett. , vol.310 , pp. 515
- Arbuznikov, A.V.¹ Hendrickx, M.² Vanquickenbome, L.G.³

8
- 84893169025
- (1993) J. Comp. Chem. , vol.14 , pp. 1347
- Schmidt, M.W.¹ Baldridge, K.K.² Boatz, J.A.³ Elbert, S.T.⁴ Gordon, M.S.⁵ Jensen, J.J.⁶ Koseki, S.⁷ Matsunaga, N.⁸ Nguyen, K.A.⁹ Su, S.¹⁰ Windus, T.L.¹¹ Dupuis, M.¹² Montgomery, J.A.¹³

9
- 0033963034
- (2000) J. Comput. Aided Mol. Des. , vol.14 , pp. 123
- Schaftenaar, G.¹ Noordik, J.H.²

10
- 0005867244
- (1970) J. Chem. Phys. , vol.52 , pp. 1033
- Wachters, A.J.H.¹

11
- 0004254735
- Schrodinger Inc., Portland, OR
- (1998) Jaguar, 3.5, 4.0 ed.

12
- 4244218448
- (1985) J. Phys. Chem. , vol.89 , pp. 2156
- Lüthi, H.P.¹ Siegbahn, P.E.M.² Almlöf, J.³

13
- 36549090649
- (1988) J. Chem. Phys. , vol.88 , pp. 303
- Yamamoto, S.¹ Teraoka, J.² Kashiwagi, H.³

14
- 0002080919
- (1989) Chem. Phys. Lett. , vol.161 , pp. 85
- Yamamoto, S.¹ Kashiwagi, H.²

15
- 0001415426
- (1993) Chem. Phys. Lett. , vol.205 , pp. 306
- Yamamoto, S.¹ Kashiwagi, H.²

16
- 33751158684
- (1994) J. Phys. Chem. , vol.98 , pp. 5576
- Ghosh, A.¹ Almlöf, J.² Que, J.L.³

17
- 36449008358
- (1993) J. Chem. Phys. , vol.98 , pp. 3978
- Barnes, L.A.¹ Liu, B.² Lindh, R.³

18
- 36449006168
- (1991) J. Chem. Phys. , vol.94 , pp. 2031
- Barnes, L.A.¹ Rosi, M.² Bauschlicher, C.W.J.³

19
- 33751391221
- (1992) J. Phys. Chem. , vol.96 , pp. 121
- Marquez, A.¹ Daniel, C.² Sanz, J.F.³

20
- 0001664497
- (1999) Chem. Phys. Lett. , vol.302 , pp. 489
- Rubner, O.¹ Engel, V.² Hachey, M.R.³ Daniel, C.⁴

21
- 0029950670
- (1996) Am. Chem. Soc. , vol.118 , pp. 4631
- Jacobesn, H.¹ Ziegler, T.J.²

22
- 0010249403
- (1987) Chem. Phys. , vol.121 , pp. 115
- Deeth, R.J.¹ Figgis, B.N.² Ogden, M.I.³

23
- 0000940236
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 2231
- Butcher, K.D.¹ Didziulis, S.V.² Briat, B.³ Solomon, E.I.⁴

24
- 33751029854
- (1996) J. Phys. Chem. , vol.100 , pp. 8770
- Bach, R.D.¹ Shobe, D.S.² Schlegel, H.B.³ Nagel, C.J.⁴

25
- 0030823570
- (1997) J. Phys. Chem. A , vol.101 , pp. 316
- Glukhovtsev, M.N.¹ Bach, R.D.² Nagel, C.J.³

26
- 0001085276
- (1998) Chem. Phys. Lett. , vol.295 , pp. 380
- Choe, Y.K.¹ Hashimoto, T.² Nakano, H.³ Hirao, K.⁴

27
- 4243458569
- (1999) J. Chem. Phys. , vol.111 , pp. 3837
- Choe, Y.K.¹ Nakajima, T.² Hirao, K.³ Lindh, R.⁴

28
- 0002932770
- (1999) Inorg. Chem. , vol.38 , pp. 77
- Richter, U.¹ Heck, J.² Reinhold, J.³

29
- 0034695847
- (2000) Inorg. Chem. , vol.39 , pp. 658
- Richter, U.¹ Reinhold, J.² Heck, J.³

30
- 37049098807
- (1980) J.C.S. Dalton , vol.1 , pp. 87
- Hargittai, M.¹ Tremmel, J.² Hargittai, I.³

31
- 0001603499
- (1993) Organometallics , vol.12 , pp. 1481
- Braga, D.¹ Grepioni, F.² Orpen, A.G.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.