-
1
-
-
21344458504
-
Electronic structure calculations for molecules containing transition metals
-
Siegbahn, P. E. M. Electronic structure calculations for molecules containing transition metals. Adv. Chem. Phys. 1996, XCIII, 333-386.
-
(1996)
Adv. Chem. Phys.
, vol.93
, pp. 333-386
-
-
Siegbahn, P.E.M.1
-
4
-
-
0000471896
-
-
Dalleska, N. F.; Honma, K.; Sunderlin, L. S. Armentrout, P. B. J. Am. Chem. Soc. 1994, 116, 3519.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 3519
-
-
Dalleska, N.F.1
Honma, K.2
Sunderlin, L.S.3
Armentrout, P.B.4
-
5
-
-
4143068317
-
-
Clemmer, D. E.; Chen, Y.-M.; Aristov, N.; Armentrout, P. B. J. Phys. Chem. 1994, 98, 7538.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 7538
-
-
Clemmer, D.E.1
Chen, Y.-M.2
Aristov, N.3
Armentrout, P.B.4
-
6
-
-
33845183739
-
-
Magnera, T. F.; David, D. E.; Michl, J. J. Am. Chem. Soc. 1989, 111, 4100.
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 4100
-
-
Magnera, T.F.1
David, D.E.2
Michl, J.3
-
7
-
-
0001170832
-
-
Chen Y.-M., Clemmer, D. E.; Armentrout, P. B. J. Am. Chem. Soc. 1994, 116, 7815
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 7815
-
-
Chen, Y.-M.1
Clemmer, D.E.2
Armentrout, P.B.3
-
8
-
-
33751554579
-
-
Clemmer, D. E.; Sunderlin, L. S.; Armentrout, P. B. J. Phys. Chem. 1990, 94, 3008.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 3008
-
-
Clemmer, D.E.1
Sunderlin, L.S.2
Armentrout, P.B.3
-
10
-
-
0001381023
-
-
Guo, B. C.; Kerns, K. P.; Castleman, A. W. J. Phys. Chem. 1992, 96, 4879-4883.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 4879-4883
-
-
Guo, B.C.1
Kerns, K.P.2
Castleman, A.W.3
-
11
-
-
33751385472
-
-
Clemmer, D. E.; Aristov, N.; Armentrout, P. B. J. Phys. Chem. 1993, 97, 544-552.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 544-552
-
-
Clemmer, D.E.1
Aristov, N.2
Armentrout, P.B.3
-
13
-
-
0028763481
-
-
Chen, Y. M.; Clemmer, D. E.; Armentrout, P. B. J. Phys. Chem. 1994, 98, 11490-11498.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11490-11498
-
-
Chen, Y.M.1
Clemmer, D.E.2
Armentrout, P.B.3
-
14
-
-
0030259921
-
-
Irigoras, A.; Ugalde, J. M.; Lopez, X.; Sarasola, C. Can. J. Chem. 1996, 74, 1824-1829.
-
(1996)
Can. J. Chem.
, vol.74
, pp. 1824-1829
-
-
Irigoras, A.1
Ugalde, J.M.2
Lopez, X.3
Sarasola, C.4
-
16
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
17
-
-
36449007241
-
-
Sim, F.; Salahub, D. R.; Chim, S.; Dipuis, M. J. Chem. Phys. 1991, 95, 4317.
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 4317
-
-
Sim, F.1
Salahub, D.R.2
Chim, S.3
Dipuis, M.4
-
18
-
-
0001470765
-
-
Godbout, N.; Salahub, D. R.; Andzelm, J.; Wimmer, E. Can. J. Chem. 1992, 70, 560.
-
(1992)
Can. J. Chem.
, vol.70
, pp. 560
-
-
Godbout, N.1
Salahub, D.R.2
Andzelm, J.3
Wimmer, E.4
-
21
-
-
0039209924
-
-
Schäfer, A.; Hurbert, C.; Ahlrichs, R. J. Chem. Phys. 1994, 100, 5829.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 5829
-
-
Schäfer, A.1
Hurbert, C.2
Ahlrichs, R.3
-
25
-
-
26844534384
-
-
Krishnan, J. S.; Binkley, J. S.; Seeger, P. v. R.; Pople, J. A. J. Chem. Phys. 1980, 72, 650.
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 650
-
-
Krishnan, J.S.1
Binkley, J.S.2
V R, S.P.3
Pople, J.A.4
-
26
-
-
0013004607
-
-
Andersson, K.; Malmqvist, P-Å.; Roos, B. O.; Sadlej, A. J.; Wolinski, K. J. Phys. Chem. 1990, 94, 5483.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 5483
-
-
Andersson, K.1
Malmqvist, P.-Å.2
Roos, B.O.3
Sadlej, A.J.4
Wolinski, K.5
-
27
-
-
36448998619
-
-
Andersson, K.; Malmqvist, P-A.; Roos, B. O. J. Chem. Phys. 1992, 96, 1218.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 1218
-
-
Andersson, K.1
Malmqvist, P.-A.2
Roos, B.O.3
-
28
-
-
0000837297
-
-
Blomberg, M. R. A.; Siegbahn, P. E. M.; Svensson, M. J. Chem. Phys. 1996, 104 (23), 9546.
-
(1996)
J. Chem. Phys.
, vol.104
, Issue.23
, pp. 9546
-
-
Blomberg, M.R.A.1
Siegbahn, P.E.M.2
Svensson, M.3
-
31
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frish, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T. A.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Croslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94 (Revision A.1); Gaussian, Inc.: Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94 (Revision A.1)
-
-
Frish, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.A.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
Croslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
32
-
-
0003985620
-
-
Dept. of Theor. Chem., Chem. Center, Univ. Of Lund, P.O. Box 124, S-221 00 Lund, Sweden
-
Andersson, K.; Füscher, M. P.; Karlström, G.; Lindh, R.; Malmqvist, P.-Å.; Olsen, J.; Roos, B. O.; Sadlej, A. J.; Blomberg, M. R. A.; Siegbahn, P. E. M.; Kellö, V.; Noga, J.; Urban, M.; and Widmark, P.-O. MOLCAS Version 3; Dept. of Theor. Chem., Chem. Center, Univ. Of Lund, P.O. Box 124, S-221 00 Lund, Sweden, 1994.
-
(1994)
MOLCAS Version 3
-
-
Andersson, K.1
Füscher, M.P.2
Karlström, G.3
Lindh, R.4
Malmqvist, P.-Å.5
Olsen, J.6
Roos, B.O.7
Sadlej, A.J.8
Blomberg, M.R.A.9
Siegbahn, P.E.M.10
Kellö, V.11
Noga, J.12
Urban, M.13
Widmark, P.-O.14
-
33
-
-
0011083499
-
-
Read, A. E.; Curtiss, L. A.; Weinhold, v. F. Chem. Rev. 1988, 88, 899.
-
(1988)
Chem. Rev.
, vol.88
, pp. 899
-
-
Read, A.E.1
Curtiss, L.A.2
Weinhold, V.F.3
-
38
-
-
0342290612
-
-
National Bureau of Standards: Washington, DC
-
Moore, C. E. Atomic Energy Levels; National Bureau of Standards: Washington, DC, 1952; Natl. Bur. Stand. Circ. 1959, 2 (3), 467.
-
(1952)
Atomic Energy Levels
-
-
Moore, C.E.1
-
39
-
-
0001536458
-
-
Moore, C. E. Atomic Energy Levels; National Bureau of Standards: Washington, DC, 1952; Natl. Bur. Stand. Circ. 1959, 2 (3), 467.
-
(1959)
Natl. Bur. Stand. Circ.
, vol.2
, Issue.3
, pp. 467
-
-
|