-
2
-
-
0038648651
-
-
Elola, M. D.; Estrin, D. A.; Laria, D. J. Phys. Chem. A 1999, 103, 5105.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 5105
-
-
Elola, M.D.1
Estrin, D.A.2
Laria, D.3
-
3
-
-
0037869919
-
-
Tuñón, I.; Martins-Costa, M. T. C.; Millot, C.; Ruiz-López, M. F. J. Chem. Phys. 1997, 106, 3633.
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 3633
-
-
Tuñón, I.1
Martins-Costa, M.T.C.2
Millot, C.3
Ruiz-López, M.F.4
-
4
-
-
0038309643
-
-
Tuñón, I.; Silla, E.; Millot, C.; Martins-Costa, M. T. C.; Ruiz-López, M. F. J. Phys. Chem. A 1998, 102, 8673.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 8673
-
-
Tuñón, I.1
Silla, E.2
Millot, C.3
Martins-Costa, M.T.C.4
Ruiz-López, M.F.5
-
8
-
-
84962367344
-
-
Lipkowitz, K. B., Boyd, D. B., Eds.; Plenum Press: New York
-
Gao, J. In Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; Plenum Press: New York, 1996; Vol. 7, pp. 119.
-
(1996)
Reviews in Computational Chemistry
, vol.7
, pp. 119
-
-
Gao, J.1
-
9
-
-
84962465863
-
-
Grotendorst, J., Ed.; NIC series; John von Neumann Institute for Computing: Jülich, Germany
-
Sherwood, P. In Modern Methods and Algorithms of Quantum Chemistry, Grotendorst, J., Ed.; NIC series, Vol. 1; John von Neumann Institute for Computing: Jülich, Germany, 2000; p 1.
-
(2000)
Modern Methods and Algorithms of Quantum Chemistry
, vol.1
, pp. 1
-
-
Sherwood, P.1
-
12
-
-
0001063469
-
-
Tuñón, I.; Rinaldi, D.; Ruiz-López, M. F.; Rinaldi, J. L. J. Phys. Chem. 1995, 99, 3798.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 3798
-
-
Tuñón, I.1
Rinaldi, D.2
Ruiz-López, M.F.3
Rinaldi, J.L.4
-
14
-
-
0001627449
-
-
Turki, N.; Milet, A.; Rahmouni, A.; Ouamerali, R. O.; Moszynski, R.; Kochanski, E.; Wormer, P. E. S. J. Chem. Phys. 1998, 109, 7157.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 7157
-
-
Turki, N.1
Milet, A.2
Rahmouni, A.3
Ouamerali, R.O.4
Moszynski, R.5
Kochanski, E.6
Wormer, P.E.S.7
-
17
-
-
0035920348
-
-
Chaudhuri, C.; Wang, Y.-S.; Jiang, J. C.; Lee, Y. T.; Chang, H.-C.; Niedner-Schatteburg, G. Mol. Phys. 2001, 99, 1161.
-
(2001)
Mol. Phys.
, vol.99
, pp. 1161
-
-
Chaudhuri, C.1
Wang, Y.-S.2
Jiang, J.C.3
Lee, Y.T.4
Chang, H.-C.5
Niedner-Schatteburg, G.6
-
18
-
-
0542436236
-
-
Tuckerman, M.; Laasonen, K.; Sprik, M.; Parrinello, M. J. Phys. Chem. 1995, 99, 5749.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 5749
-
-
Tuckerman, M.1
Laasonen, K.2
Sprik, M.3
Parrinello, M.4
-
19
-
-
0000135791
-
-
Tuckerman, M.; Laasonen, K.; Sprik, M.; Parrinello, M. J. Chem. Phys. 1995, 103, 150.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 150
-
-
Tuckerman, M.1
Laasonen, K.2
Sprik, M.3
Parrinello, M.4
-
20
-
-
0000640141
-
-
Andaloro, G.; Palazzo, M. A.; Migliore, M. Chem. Phys. Lett. 1988, 149, 201.
-
(1988)
Chem. Phys. Lett.
, vol.149
, pp. 201
-
-
Andaloro, G.1
Palazzo, M.A.2
Migliore, M.3
-
22
-
-
0006632202
-
-
Wallqvist, A.; Ahlström, P.; Karlström, G. J. Phys. Chem. 1990, 94, 1649.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 1649
-
-
Wallqvist, A.1
Ahlström, P.2
Karlström, G.3
-
23
-
-
2942659204
-
-
Wallqvist, A.; Ahlstrom̈m, P.; Karlström, G. J. Phys. Chem. 1991, 95, 4922.
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 4922
-
-
Wallqvist, A.1
Ahlstrom̈m, P.2
Karlström, G.3
-
24
-
-
0038910690
-
-
Pierloot, K.; Dumez, B.; Widmark, P. O.; Roos, B. O. Theor. Chim. Acta 1995, 90, 87.
-
(1995)
Theor. Chim. Acta
, vol.90
, pp. 87
-
-
Pierloot, K.1
Dumez, B.2
Widmark, P.O.3
Roos, B.O.4
-
25
-
-
0003392598
-
-
Department of Theoretical Chemistry, Chemical Center, University of Lund, Sweden
-
Andersson, K.; Baryz, M.; Bernhardsson, A.; Blomberg, M. R. A.; Boussard, P.; Cooper, D. L.; Fleig, T.; Fülscher, M. P.; Hess, B.; Karlström, G.; Lindh, R.; Malmqvist, P.; Neogrady, P.; Olsen, J.; Roos, B. O.; Sadlej, A. J.; Schimmelpfennig, B.; Schtz, M.; Seijo, L.; Serrano, L.; Siegbahn, P. E.; Stålring, J.; Thorsteinsson, T.; Veryazov, V.; Wahlgren, U.; Widmark, P. MOLCAS, version 5.0; Department of Theoretical Chemistry, Chemical Center, University of Lund, Sweden, 2000.
-
(2000)
MOLCAS, Version 5.0
-
-
Andersson, K.1
Baryz, M.2
Bernhardsson, A.3
Blomberg, M.R.A.4
Boussard, P.5
Cooper, D.L.6
Fleig, T.7
Fülscher, M.P.8
Hess, B.9
Karlström, G.10
Lindh, R.11
Malmqvist, P.12
Neogrady, P.13
Olsen, J.14
Roos, B.O.15
Sadlej, A.J.16
Schimmelpfennig, B.17
Schtz, M.18
Seijo, L.19
Serrano, L.20
Siegbahn, P.E.21
Stålring, J.22
Thorsteinsson, T.23
Veryazov, V.24
Wahlgren, U.25
Widmark, P.26
more..
-
26
-
-
0003029009
-
On the evaluation of intermolecular potentials
-
van Duijnen, W. C., Nieuwpoort, P. T., Eds; Laboratory of Chemical Physics, University of Gronningen: Gronningen, The Netherlands, and Max-Plank-Institut und Astrophysik; Institut für Astrophysik: Garching bei München, Deutschland
-
Karlström, G. On the evaluation of intermolecular potentials. In Proceedings of the 5th Seminar on Computational Methods in Quantum Chemistry; van Duijnen, W. C., Nieuwpoort, P. T., Eds; Laboratory of Chemical Physics, University of Gronningen: Gronningen, The Netherlands, and Max-Plank-Institut und Astrophysik; Institut für Astrophysik: Garching bei München, Deutschland, 1981; p 353.
-
(1981)
Proceedings of the 5th Seminar on Computational Methods in Quantum Chemistry
, pp. 353
-
-
Karlström, G.1
-
27
-
-
0020763563
-
-
Karlström, G., Linse, P., Wallquist, A., Jönsson, B. J. Am. Chem. Soc. 1983, 105, 3777.
-
(1983)
J. Am. Chem. Soc.
, vol.105
, pp. 3777
-
-
Karlström, G.1
Linse, P.2
Wallquist, A.3
Jönsson, B.4
-
29
-
-
0001488461
-
-
Åstrand, P.-O., Wallqvist, A., Karlström, G. J. Chem. Phys. 1994, 100, 1262.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 1262
-
-
Åstrand, P.-O.1
Wallqvist, A.2
Karlström, G.3
-
30
-
-
0037173860
-
-
Salvador, P., Duran, M., Dannenberg, J. J. J. Phys. Chem. A 2002, 106, 6883.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 6883
-
-
Salvador, P.1
Duran, M.2
Dannenberg, J.J.3
-
33
-
-
4244108825
-
-
Hermida-Ramón, J. M., Karlström, G., Lindh, R. J. Phys. Chem. B 2002, 106, 7115.
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 7115
-
-
Hermida-Ramón, J.M.1
Karlström, G.2
Lindh, R.3
-
34
-
-
84946893847
-
-
Miertus, S., Scrocco, E., Tomasi, J. Chem. Phys. 1981, 55, 117.
-
(1981)
Chem. Phys.
, vol.55
, pp. 117
-
-
Miertus, S.1
Scrocco, E.2
Tomasi, J.3
|