-
1
-
-
84855620601
-
-
Wiley, New York
-
12, vol. 1, Wiley, New York, 1982.
-
(1982)
12
, vol.1
-
-
Dolphin, D.1
-
5
-
-
26544434851
-
-
D.A. Ryan, J.H. Espenson, D. Meyerstein, W.A. Mulac, Inorg. Chem. 17 (1978) 3726.
-
(1978)
Inorg. Chem.
, vol.17
, pp. 3726
-
-
Ryan, D.A.1
Espenson, J.H.2
Meyerstein, D.3
Mulac, W.A.4
-
7
-
-
26544465142
-
-
S.K. Ghosh, P.N. Balasubramanian, G. Chithambarathanu Pillai, E.S. Gould, Inorg. Chem. 30 (1991) 487.
-
(1991)
Inorg. Chem.
, vol.30
, pp. 487
-
-
Ghosh, S.K.1
Balasubramanian, P.N.2
Chithambarathanu Pillai, G.3
Gould, E.S.4
-
8
-
-
26544435371
-
-
S.K. Ghosh, P.N. Balasubramanian, G. Chithambarathanu Pillai, M.C. Ghosh, E.S. Gould, Inorg. Chem. 30 (1991) 1043.
-
(1991)
Inorg. Chem.
, vol.30
, pp. 1043
-
-
Ghosh, S.K.1
Balasubramanian, P.N.2
Chithambarathanu Pillai, G.3
Ghosh, M.C.4
Gould, E.S.5
-
12
-
-
0001157659
-
Time-dependent density functional response theory for molecules
-
D.P. Chong (Ed.), World Scientific, Singapore, Chapter 5
-
M.E. Casida, Time-dependent density functional response theory for molecules, in: D.P. Chong (Ed.), Recent Advances in Density Functional Methods, vol. 1, World Scientific, Singapore, 1995, Chapter 5.
-
(1995)
Recent Advances in Density Functional Methods
, vol.1
-
-
Casida, M.E.1
-
13
-
-
77956972092
-
Time-dependent density functional response theory of molecular systems: Theory, computational methods, and functionals
-
J.M. Seminario (Ed.), Elsevier, Amsterdam
-
M.E. Casida, Time-dependent density functional response theory of molecular systems: theory, computational methods, and functionals, in: J.M. Seminario (Ed.), Recent Developments and Applications of Modern Density Functional Theory, Theoretical and Computational Chemistry, vol. 4, Elsevier, Amsterdam, 1996.
-
(1996)
Recent Developments and Applications of Modern Density Functional Theory, Theoretical and Computational Chemistry
, vol.4
-
-
Casida, M.E.1
-
17
-
-
0000845448
-
-
S.J.A. van Gisbergen, A. Rosa, G. Riccardi, E.J. Baerends, J. Chem. Phys. 111 (1999) 2499.
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 2499
-
-
Van Gisbergen, S.J.A.1
Rosa, A.2
Riccardi, G.3
Baerends, E.J.4
-
19
-
-
0035249018
-
-
P. Boulet, H. Chermette, C. Daul, F. Gilardoni, F. Rogemond, J. Weber, G. Zuber, J. Phys. Chem. A 105 (2001) 885.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 885
-
-
Boulet, P.1
Chermette, H.2
Daul, C.3
Gilardoni, F.4
Rogemond, F.5
Weber, J.6
Zuber, G.7
-
20
-
-
0035810497
-
-
A. Rosa, G. Riccardi, E.J. Baerends, S.J.A. van Gisbergen, J. Phys. Chem. A 105 (2001) 3311.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 3311
-
-
Rosa, A.1
Riccardi, G.2
Baerends, E.J.3
Van Gisbergen, S.J.A.4
-
21
-
-
0001353936
-
-
S.J.A. van Gisbergen, J.A. Groeneveld, A. Rosa, J.G. Snijders, E.J. Baerends, J. Phys. Chem. A 103 (1999) 6835.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 6835
-
-
Van Gisbergen, S.J.A.1
Groeneveld, J.A.2
Rosa, A.3
Snijders, J.G.4
Baerends, E.J.5
-
26
-
-
0001518180
-
-
D.J. Tozer, R.D. Amos, N.C. Handy, B.O. Roos, L. Serrano-Andrés, Mol. Phys. 97 (1999) 859.
-
(1999)
Mol. Phys.
, vol.97
, pp. 859
-
-
Tozer, D.J.1
Amos, R.D.2
Handy, N.C.3
Roos, B.O.4
Serrano-Andrés, L.5
-
27
-
-
0031584630
-
-
R. Bauernschmitt, M. Häser, O. Treutler, R. Ahlichs, Chem. Phys. Lett. 264 (1997) 573.
-
(1997)
Chem. Phys. Lett.
, vol.264
, pp. 573
-
-
Bauernschmitt, R.1
Häser, M.2
Treutler, O.3
Ahlichs, R.4
-
29
-
-
33751157732
-
-
P.J. Stevens, F.J. Devlin, C.F. Chablowski, M.J. Frisch, J. Phys. Chem. 98 (1994) 11623.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11623
-
-
Stevens, P.J.1
Devlin, F.J.2
Chablowski, C.F.3
Frisch, M.J.4
-
30
-
-
0003662632
-
-
Gaussian, Inc., Pittsburgh, PA
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian 98, Revision A.11.4, Gaussian, Inc., Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98, Revision A.11.4
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery J.A., Jr.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Gonzalez, C.55
Head-Gordon, M.56
Replogle, E.S.57
Pople, J.A.58
more..
-
33
-
-
0004067957
-
-
H.F. Schaeffer III (Ed.), Plenum Press, New York
-
T.H. Dunning Jr., P.J. Hay, in: H.F. Schaeffer III (Ed.), Methods of Electronic Structure Theory, Plenum Press, New York, 1977.
-
(1977)
Methods of Electronic Structure Theory
-
-
Dunning T.H., Jr.1
Hay, P.J.2
-
34
-
-
0013179419
-
-
CMBI, Netherlands
-
G. Schaftenaar, Molden, Release 3.6, CMBI, Netherlands, 2000, http://www.caos.kun.nl/-schft/molden/molden.html
-
(2000)
Molden, Release 3.6
-
-
Schaftenaar, G.1
-
36
-
-
0347272304
-
B 12-nomenclature and a suggested atom-numbering
-
B. Kraütler, D. Arigoni, B.T. Golding (Eds.), Wiley/VCH Verlag GmbH, Weinheim, Chapter 34
-
12-proteins, Wiley/VCH Verlag GmbH, Weinheim, 1997, Chapter 34.
-
(1997)
12-proteins
-
-
Kraütler, B.1
-
37
-
-
0001957032
-
12 and cobaloximes
-
D. Dolphin (Ed.), Wiley, New York, Chapter 3
-
12, vol. 1, Wiley, New York, 1982, Chapter 3.
-
(1982)
12
, vol.1
-
-
Glusker, J.P.1
-
38
-
-
0035123559
-
-
C. Rovira, K. Kunc, J. Hutter, M. Parrinello, Inorg. Chem. 40 (2001) 11.
-
(2001)
Inorg. Chem.
, vol.40
, pp. 11
-
-
Rovira, C.1
Kunc, K.2
Hutter, J.3
Parrinello, M.4
-
43
-
-
0001357596
-
12 and related systems
-
D. Dolphin (Ed.), Wiley, New York, Chapter 11
-
12, vol. 1, Wiley, New York, 1982, Chapter 11.
-
(1982)
12
, vol.1
-
-
Gianotti, C.1
-
44
-
-
0000287603
-
-
M.E. Casida, C. Jamorski, K.C. Casida, D.R. Salahub, J. Chem. Phys. 108 (1998) 4439.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 4439
-
-
Casida, M.E.1
Jamorski, C.2
Casida, K.C.3
Salahub, D.R.4
-
49
-
-
0037842487
-
-
M. Gröning, O.V. Gritsenko, S.J.A. van Gisbergen, E.J. Baerends, J. Chem. Phys. 114 (2001) 652.
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 652
-
-
Gröning, M.1
Gritsenko, O.V.2
Van Gisbergen, S.J.A.3
Baerends, E.J.4
|