-
2
-
-
0003622715
-
-
edited by P.Politzer and J. M.Seminario (Elsevier, Amsterdam
-
Modern Density Functional Theory: A Tool for Chemistry, Theoretical and Computational Chemistry, edited by, P. Politzer, and, J. M. Seminario, (Elsevier, Amsterdam, 1995), Vol. 2.
-
(1995)
Modern Density Functional Theory: A Tool for Chemistry, Theoretical and Computational Chemistry
, vol.2
-
-
-
3
-
-
0038661201
-
-
P. Geerlings, F. De Proft, and W. Langenaeker, Chem. Rev. (Washington, D.C.) 103, 1793 (2003).
-
(2003)
Chem. Rev. (Washington, D.C.)
, vol.103
, pp. 1793
-
-
Geerlings, P.1
De Proft, F.2
Langenaeker, W.3
-
4
-
-
36749117171
-
-
R. G. Parr, R. A. Donnelly, M. Levy, and W. E. Palke, J. Chem. Phys. 68, 3801 (1978).
-
(1978)
J. Chem. Phys.
, vol.68
, pp. 3801
-
-
Parr, R.G.1
Donnelly, R.A.2
Levy, M.3
Palke, W.E.4
-
8
-
-
33645956933
-
-
Theoretical and Computational Chemistry 4, edited by J. M.Seminario (Elsevier, Amsterdam
-
P. Geerlings, F. De Proft, and J. M. L. Martin, in Recent Developments and Applications of Modern Density Functional Theory, Theoretical and Computational Chemistry 4, edited by, J. M. Seminario, (Elsevier, Amsterdam, 1996), p. 773.
-
(1996)
Recent Developments and Applications of Modern Density Functional Theory
, pp. 773
-
-
Geerlings, P.1
De Proft, F.2
Martin, J.M.L.3
-
11
-
-
0038369734
-
-
edited by P.Geerlings, F.De Proft, and W.Langenaeker (VUB, Brussels
-
F. De Proft, in Density Functional Theory: A Bridge between Chemistry and Physics, edited by, P. Geerlings, F. De Proft, and, W. Langenaeker, (VUB, Brussels, 1998), p. 131.
-
(1998)
Density Functional Theory: A Bridge between Chemistry and Physics
, pp. 131
-
-
De Proft, F.1
-
12
-
-
0000952472
-
-
F. Gilardoni, J. Weber, H. Chermette, and T. R. Ward, J. Phys. Chem. A 102, 3607 (1998).
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 3607
-
-
Gilardoni, F.1
Weber, J.2
Chermette, H.3
Ward, T.R.4
-
14
-
-
0036722810
-
-
F. De Proft, C. Van Alsenoy, A. Peeters, W. Langenaeker, and P. Geerlings, J. Comput. Chem. 23, 1198 (2002).
-
(2002)
J. Comput. Chem.
, vol.23
, pp. 1198
-
-
De Proft, F.1
Van Alsenoy, C.2
Peeters, A.3
Langenaeker, W.4
Geerlings, P.5
-
17
-
-
0035880779
-
-
R. K. Roy, K. Hirao, S. Krishnamurty, and S. Pal, J. Chem. Phys. 115, 2901 (2001).
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 2901
-
-
Roy, R.K.1
Hirao, K.2
Krishnamurty, S.3
Pal, S.4
-
26
-
-
34547370349
-
-
McMaster University, Hamilton, ON
-
R. F. W. Bader, computer code AIMPAC (McMaster University, Hamilton, ON, 1982).
-
(1982)
-
-
Bader, R.F.W.1
-
27
-
-
34547341728
-
-
Gaussian, Inc., Wallingford, CT
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, computer code GAUSSIAN 03, Revision C.02 (Gaussian, Inc., Wallingford, CT, 2004).
-
(2004)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
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