-
2
-
-
33846010188
-
-
(b) Roos, B. O.; Malmqvist, P.-Å; Gagliardi, L. J. Am. Chem. Soc. 2006, 128, 17000.
-
(2006)
J. Am. Chem. Soc
, vol.128
, pp. 17000
-
-
Roos, B.O.1
Malmqvist, P.-A.2
Gagliardi, L.3
-
3
-
-
21744458398
-
-
Gagliardi, L.; Pyykkö, P.; Roos, B. O. Phys. Chem. Chem. Phys. 2005, 7, 2415.
-
(2005)
Phys. Chem. Chem. Phys
, vol.7
, pp. 2415
-
-
Gagliardi, L.1
Pyykkö, P.2
Roos, B.O.3
-
4
-
-
33749077151
-
-
La Macchia, G.; Brynda, M.; Gagliardi, L. Angew. Chem. Int. 2006, 45, 6210.
-
(2006)
Angew. Chem. Int
, vol.45
, pp. 6210
-
-
La Macchia, G.1
Brynda, M.2
Gagliardi, L.3
-
6
-
-
4644318771
-
-
Gorokhov, L. N.; Emelyanov, A. M.; Khodeev, Y. S. Teplofizika Vysokhich Temperatur 1974, 12, 1307.
-
(1974)
Teplofizika Vysokhich Temperatur
, vol.12
, pp. 1307
-
-
Gorokhov, L.N.1
Emelyanov, A.M.2
Khodeev, Y.S.3
-
7
-
-
0004466951
-
-
Souter, P. F.; Kushto, G. P.; Andrews, L. Chem. Commun. 1996, 27, 2401.
-
(1996)
Chem. Commun
, vol.27
, pp. 2401
-
-
Souter, P.F.1
Kushto, G.P.2
Andrews, L.3
-
8
-
-
0031002353
-
-
Souter, P. F.; Kushto, G. P.; Andrews, L.; Neurock, M. J. Am. Chem. Soc. 1997, 119, 1682.
-
(1997)
J. Am. Chem. Soc
, vol.119
, pp. 1682
-
-
Souter, P.F.1
Kushto, G.P.2
Andrews, L.3
Neurock, M.4
-
9
-
-
0004036385
-
-
Lawley, K. P, Ed, John Wiley & Sons Ltd, Chichester, England
-
Roos, B. O. In Advances in Chemical Physics; Ab Initio Methods in Quantum Chemistry-II; Lawley, K. P., Ed.; John Wiley & Sons Ltd.: Chichester, England, 1987; p 399.
-
(1987)
In Advances in Chemical Physics; Ab Initio Methods in Quantum Chemistry-II
, pp. 399
-
-
Roos, B.O.1
-
10
-
-
36448998619
-
-
Andersson, K.; Malmqvist, P.-Å.; 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
-
11
-
-
0141991885
-
-
Karlström, G.; Lindh, R.; Malmqvist, P.-Å.; Roos, B. O.; Ryde, U.; Veryazov, V.; Widmark, P.O.; Cossi, M.; Schimmelpfennig, B.; Neogrády, P.; Seijo, L. Comput. Mater. Sci. 2003, 28, 222.
-
(2003)
Comput. Mater. Sci
, vol.28
, pp. 222
-
-
Karlström, G.1
Lindh, R.2
Malmqvist, P.-A.3
Roos, B.O.4
Ryde, U.5
Veryazov, V.6
Widmark, P.O.7
Cossi, M.8
Schimmelpfennig, B.9
Neogrády, P.10
Seijo, L.11
-
12
-
-
20644467263
-
-
Roos, B. O.; Lindh, R.; Malmqvist, P.-Å.; Veryazov. V.; Widmark, P.-O. Chem. Phys. Lett. 2005, 409, 295.
-
(2005)
Chem. Phys. Lett
, vol.409
, pp. 295
-
-
Roos, B.O.1
Lindh, R.2
Malmqvist, P.-A.3
Veryazov, V.4
Widmark, P.-O.5
-
13
-
-
20644438873
-
-
(a) te Velde, G.; Bickelhaupt, F. M.; van Gisbergen, S. J. A.; Fonseca Guerra, C.; Baerends, E. J.; Snijders, J. G.; Ziegler, T. J. Comput. Chem. 2001, 22, 931.
-
(2001)
Comput. Chem
, vol.22
, pp. 931
-
-
te Velde, G.1
Bickelhaupt, F.M.2
van Gisbergen, S.J.A.3
Fonseca Guerra, C.4
Baerends, E.J.5
Snijders, J.G.6
Ziegler, T.J.7
-
14
-
-
0032221816
-
-
(b) Fonseca Guerra, C.; Snijders, J. G.; te Velde, G.; Baerends, E. J. Theor. Chem. Acc. 1998, 99, 391.
-
(1998)
Theor. Chem. Acc
, vol.99
, pp. 391
-
-
Fonseca Guerra, C.1
Snijders, J.G.2
te Velde, G.3
Baerends, E.J.4
-
15
-
-
34547577795
-
-
ADF2006.01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands.
-
(c) ADF2006.01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands.
-
-
-
-
16
-
-
4243943295
-
-
Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865.
-
(1996)
Phys. Rev. Lett
, vol.77
, pp. 3865
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
17
-
-
1642302115
-
-
and reference therein
-
Andrews, L. Chem. Soc. Rev. 2004, 33, 123 and reference therein.
-
(2004)
Chem. Soc. Rev
, vol.33
, pp. 123
-
-
Andrews, L.1
-
20
-
-
14744278640
-
-
Straka, M.; Hrobárik, P.; Kaupp, M. J. Am. Chem. Soc. 2005, 127, 2591.
-
(2005)
J. Am. Chem. Soc
, vol.127
, pp. 2591
-
-
Straka, M.1
Hrobárik, P.2
Kaupp, M.3
|