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Journal of Chemical Physics

Volumn 117, Issue 10, 2002, Pages 4729-4737

Assertion and validation of the performance of the B3LYP* functional for the first transition metal row and the G2 test set

(3) Salomon, Oliver a Reiher, Markus a Hess, Bernd Artur a

a UNIVERSITY OF ERLANGEN NUREMBERG (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; GROUND STATE; IRON COMPOUNDS; POSITIVE IONS; PROBABILITY DENSITY FUNCTION;

ENERGY SPLITTING;

MOLECULAR PHYSICS;

EID: 0037044159 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1493179 Document Type: Article

Times cited : (548)

References (33)

1
- 0000843605
- (2000) Chem. Phys. Lett. , vol.325 , pp. 317
- Ahlrichs, R.¹ Furche, F.² Grimme, S.³

2
- 4243553426
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

3
- 5944261746
- (1986) Phys. Rev. B , vol.33 , pp. 8822
- Perdew, J.P.¹

4
- 0345491105
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

5
- 0035804140
- (2001) Chem.-Eur. J. , vol.7 , pp. 5195
- Reiher, M.¹ Salomon, O.² Sellmann, D.³ Hess, B.A.⁴

6
- 0000189651
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

7
- 33751157732
- (1994) J. Phys. Chem. , vol.98 , pp. 11623
- Stephens, P.J.¹ Devlin, F.J.² Chabalowski, C.F.³ Frisch, M.J.⁴

8
- 0000216001
- (1980) Can. J. Phys. , vol.58 , pp. 1200
- Vosko, S.H.¹ Wilk, L.² Nusair, M.³

9
- 0035730848
- (2001) Theor. Chem. Acc. , vol.107 , pp. 48
- Reiher, M.¹ Salomon, O.² Hess, B.A.³

10
- 85102989523
- Wiley, Chichester, England
- (2000) Molecular Electronic-Structure Theory
- Helgaker, T.¹ Jørgensen, P.² Olsen, J.³

11
- 4243539377
- (1989) Chem. Phys. Lett. , vol.162 , pp. 165
- Ahlrichs, R.¹ Bär, M.² Häser, M.³ Horn, H.⁴ Kölmel, C.⁵

12
- 26344435738
- (1992) J. Chem. Phys. , vol.97 , pp. 2571
- Schäfer, A.¹ Horn, H.² Ahlrichs, R.³

13
- 0039209924
- (1994) J. Chem. Phys. , vol.100 , pp. 5829
- Schäfer, A.¹ Huber, C.² Ahlrichs, R.³

14
- 33746614482
- (1989) J. Chem. Phys. , vol.90 , pp. 1007
- Dunning T.H., Jr.¹

15
- 26444474547
- (1994) J. Chem. Phys. , vol.100 , pp. 2975
- Woon, D.E.¹ Dunning T.H., Jr.²

16
- 3843146349
- (1993) J. Chem. Phys. , vol.98 , pp. 1358
- Woon, D.E.¹ Dunning T.H., Jr.²

17
- 0003634817
- University of Erlangen-Nürnberg
- (2001) SNF - A program for parallelized vibrational analyses
- Kind, C.¹ Reiher, M.² Neugebauer, J.³ Hess, B.A.⁴

18
- 0037099974
- (2002) J. Comput. Chem. , vol.23 , pp. 895
- Neugebauer, J.¹ Reiher, M.² Kind, C.³ Hess, B.A.⁴

19
- 0033963034
- (2000) J. Comput.-Aided Mol. Design , vol.14 , pp. 123
- Schaftenaar, G.¹ Noordik, J.H.²

20
- 0041401966
- (1991) J. Chem. Phys. , vol.94 , pp. 7221
- Curtiss, L.A.¹ Raghavachari, K.² Trucks, G.W.³ Pople, J.A.⁴

21
- 9344269016
- (1995) J. Phys. Chem. , vol.99 , pp. 3093
- Rauhut, G.¹ Pulay, P.²

22
- 0001523709
- (1995) J. Phys. Chem. , vol.99 , pp. 14572
- Rauhut, G.¹ Pulay, P.²

23
- 0003422992
- Gaussian, Inc., Pittsburgh
- (1996) Exploring Chemistry with Electronic Structure Methods, 2nd ed.
- Foresman, J.B.¹ Frisch, A.²

24
- 22244474611
- (1998) J. Chem. Phys. , vol.109 , pp. 42
- Curtiss, L.A.¹ Redfern, P.C.² Raghavachari, K.³ Pople, J.A.⁴

25
- 0002852963
- (1999) J. Comput. Chem. , vol.20 , pp. 63
- Becke, A.D.¹

26
- 0043049887
- (1988) J. Chem. Phys. , vol.88 , pp. 2547
- Becke, A.D.¹

27
- 5244370391
- (1988) J. Chem. Phys. , vol.89 , pp. 2993
- Becke, A.D.¹ Dickson, R.M.²

28
- 36549099234
- (1990) J. Chem. Phys. , vol.92 , pp. 3610
- Becke, A.D.¹ Dickson, R.M.²

29
- 84990699580
- (1989) Int. J. Quantum Chem., Quantum Chem. Symp. , vol.23 , pp. 599
- Becke, A.D.¹

30
- 0004233970
- Wiley-VCH, Weinheim
- (2001) Organometallics, 2nd ed.
- Elschenbroich, C.¹ Salzer, A.²

31
- 0004106959
- Springer-Verlag, Berlin
- (1986) Landolt-Börnstein, Zahlenwerte und Funktionen aus Naturwissenschaft und Technik , vol.7
- Callomon, J.H.¹ Hirota, E.² Kuchitsu, K.³ Lafferty, W.J.⁴ Maki, A.G.⁵ Pote, C.S.⁶

32
- 0004106959
- Springer-Verlag, Berlin
- (1987) Landolt-Börnstein, Zahlenwerte und Funktionen aus Naturwissenschaft und Technik , vol.15
- Callomon, J.H.¹ Hirota, E.² Iijima, T.³ Kuchitsu, K.⁴ Lafferty, W.J.⁵

33
- 0003393086
- Walter de Gruyter, Berlin
- (1995) Lehrbuch der Anorganischen Chemie, 101st ed.
- Holleman, A.F.¹ Wiberg, E.² Wiberg, N.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.