-
3
-
-
0003622715
-
-
edited by J. M. Seminario and P. Politzer Elsevier, Amsterdam
-
V. G. Malkin, O. L. Malkina, L. A. Eriksson, and D. R. Salahub, in Modern Density Functional Theory: A Tool for Chemistry; Theoretical and Computational Chemistry, Vol. 2, edited by J. M. Seminario and P. Politzer (Elsevier, Amsterdam, 1995).
-
(1995)
Modern Density Functional Theory: A Tool for Chemistry; Theoretical and Computational Chemistry
, vol.2
-
-
Malkin, V.G.1
Malkina, O.L.2
Eriksson, L.A.3
Salahub, D.R.4
-
5
-
-
85033053029
-
-
private communication
-
M. Kaupp (private communication).
-
-
-
Kaupp, M.1
-
6
-
-
85033061649
-
-
Poster, presented September Gosen/ Berlin, Germany
-
H.-U. Siehl, O. L. Malkina, T. Mueller, M. Fuss, and A. Ch. Backes, Poster, presented at the 17th Annual meeting of the "Fachgruppe Magnetische Resonanzspektroskopie der GDCh," September 1995, Gosen/ Berlin, Germany.
-
(1995)
17th Annual Meeting of the "Fachgruppe Magnetische Resonanzspektroskopie der GDCh,"
-
-
Siehl, H.-U.1
Malkina, O.L.2
Mueller, T.3
Fuss, M.4
Backes, A.Ch.5
-
10
-
-
36849101397
-
-
J. A. Pople, J. W. McIver, Jr., and N. S. Ostlund, J. Chem. Phys. 49, 2960 (1968);
-
(1968)
J. Chem. Phys.
, vol.49
, pp. 2960
-
-
Pople, J.A.1
McIver Jr., J.W.2
Ostlund, N.S.3
-
11
-
-
0142129453
-
-
J. A. Pople, J. W. McIver, Jr., and N. S. Ostlund, J. Chem. Phys. ibid. 49, 2965 (1968).
-
(1968)
J. Chem. Phys.
, vol.49
, pp. 2965
-
-
Pople, J.A.1
McIver Jr., J.W.2
Ostlund, N.S.3
-
12
-
-
0000814728
-
-
V. G. Malkin, O. L. Malkina, M. E. Casida, and D. R. Salahub, J. Am. Chem. Soc. 116, 5898 (1994).
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 5898
-
-
Malkin, V.G.1
Malkina, O.L.2
Casida, M.E.3
Salahub, D.R.4
-
13
-
-
0000572756
-
-
Springer, Heidelberg
-
W. Kutzelnigg, U. Fleischer, and M. Schindler, in NMR-Basic Principles and Progress (Springer, Heidelberg, 1990), Vol. 23, p. 165.
-
(1990)
NMR-Basic Principles and Progress
, vol.23
, pp. 165
-
-
Kutzelnigg, W.1
Fleischer, U.2
Schindler, M.3
-
16
-
-
0002000577
-
-
edited by J. K. Labanowski and J. W. Andzelm Springer, New York
-
D. R. Salahub, R. Fournier, P. Mlynarski, I. Papai, A. St-Amant, and J. Ushio, in Density Functional Methods in Chemistry, edited by J. K. Labanowski and J. W. Andzelm (Springer, New York, 1991), p. 77.
-
(1991)
Density Functional Methods in Chemistry
, pp. 77
-
-
Salahub, D.R.1
Fournier, R.2
Mlynarski, P.3
Papai, I.4
St-Amant, A.5
Ushio, J.6
-
18
-
-
85033070358
-
-
Thesis, Université de Montréal
-
A. St-Amant, Thesis, Université de Montréal, 1992.
-
(1992)
-
-
St-Amant, A.1
-
25
-
-
0003754095
-
-
edited by P. Ziesche and H. Eischrig, Akademie, Berlin
-
J. P. Perdew, in Electronic Structure of Solids, edited by P. Ziesche and H. Eischrig, (Akademie, Berlin, 1991);
-
(1991)
Electronic Structure of Solids
-
-
Perdew, J.P.1
-
26
-
-
23244460838
-
-
J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992).
-
(1992)
Phys. Rev. B
, vol.46
, pp. 6671
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
30
-
-
33645834822
-
-
edited by C. Cerjan Kluwer, The Netherlands
-
C. A. Daul, A. Goursot, and D. R. Salahub, in NATO ARW Proceedings on Grid Methods in Atomic and Molecular Quantum Calculation, Vol. C412, edited by C. Cerjan (Kluwer, The Netherlands, 1993).
-
(1993)
NATO ARW Proceedings on Grid Methods in Atomic and Molecular Quantum Calculation
, vol.C412
-
-
Daul, C.A.1
Goursot, A.2
Salahub, D.R.3
-
33
-
-
0000307908
-
-
O. Vahtras, H. Ågren, P. Jørgensen, T. Helgaker, and H. J. Aa. Jensen, Chem. Phys. Lett. 209, 201 (1993).
-
(1993)
Chem. Phys. Lett.
, vol.209
, pp. 201
-
-
Vahtras, O.1
Ågren, H.2
Jørgensen, P.3
Helgaker, T.4
Jensen, H.J.Aa.5
-
36
-
-
0000230599
-
-
J. Geertsen, J. Oddershede, W. T. Raynes, and G. Scuseria, J. Magn. Reson. 93, 458 (1991).
-
(1991)
J. Magn. Reson.
, vol.93
, pp. 458
-
-
Geertsen, J.1
Oddershede, J.2
Raynes, W.T.3
Scuseria, G.4
-
37
-
-
0001185992
-
-
O. Vahtras, H. Ågren, P. Jørgensen, H. J. Aa. Jensen, S. B. Padkjær, and T. Helgaker, J. Chem. Phys. 96, 6120 (1992).
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6120
-
-
Vahtras, O.1
Ågren, H.2
Jørgensen, P.3
Jensen, H.J.Aa.4
Padkjær, S.B.5
Helgaker, T.6
-
38
-
-
36449005689
-
-
L. A. Eriksson, O. L. Malkina, V. G. Malkin, and D. R. Salahub, J. Chem Phys. 100, 5066 (1994).
-
(1994)
J. Chem Phys.
, vol.100
, pp. 5066
-
-
Eriksson, L.A.1
Malkina, O.L.2
Malkin, V.G.3
Salahub, D.R.4
-
40
-
-
0003759441
-
-
edited by D. P. Chong World Scientific, Singapore, and references cited therein
-
V. Barone, Recent Advances in Density Functional Methods, edited by D. P. Chong (World Scientific, Singapore, 1995), Vol. 1, and references cited therein.
-
(1995)
Recent Advances in Density Functional Methods
, vol.1
-
-
Barone, V.1
-
45
-
-
33645805729
-
-
M. W. Chase, Jr., C. A. Davies, J. R. Downey, Jr., D. J. Frurip, R. A. McDonald, and A. N. Syverud, J. Phys. Chem. Ref. Data 14, (1985), Suppl. 1.
-
(1985)
J. Phys. Chem. Ref. Data
, vol.14
, Issue.1 SUPPL.
-
-
Chase Jr., M.W.1
Davies, C.A.2
Downey Jr., J.R.3
Frurip, D.J.4
McDonald, R.A.5
Syverud, A.N.6
-
48
-
-
0007191337
-
-
edited by G. A. Webb Academic, New York
-
E. A. Williams and J. D. Cargioli, Silicon-29 NMR Spectroscopy, in Annual Reports on NMR Spectroscopy, edited by G. A. Webb (Academic, New York, 1979), Vol. 9, p. 221.
-
(1979)
Silicon-29 NMR Spectroscopy, in Annual Reports on NMR Spectroscopy
, vol.9
, pp. 221
-
-
Williams, E.A.1
Cargioli, J.D.2
-
49
-
-
33645806388
-
-
edited by G. A. Webb Academic, New York
-
E. A. Williams, Silicon-29 NMR Spectroscopy, in Annual Reports on NMR Spectroscopy, edited by G. A. Webb (Academic, New York, 1983), Vol. 15.
-
(1983)
Silicon-29 NMR Spectroscopy, in Annual Reports on NMR Spectroscopy
, vol.15
-
-
Williams, E.A.1
-
50
-
-
0009671631
-
-
edited by G. A Webb Academic, New York, and references cited therein
-
D. B. Chesnut, Ab Initio Calculations of NMR Chemical Shielding, in Annual Reports on NMR Spectroscopy, edited by G. A Webb (Academic, New York, 1994), Vol. 29, and references cited therein.
-
(1994)
Ab Initio Calculations of NMR Chemical Shielding, in Annual Reports on NMR Spectroscopy
, vol.29
-
-
Chesnut, D.B.1
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