-
1
-
-
36549098458
-
-
S. Obara and A. Saika, J. Chem. Phys., 84, 3963 (1986); P. M. W. Gill and J. A. Pople, Int. J. Quantum Chem., 40, 753 (1991), and references therein.
-
(1986)
J. Chem. Phys.
, vol.84
, pp. 3963
-
-
Obara, S.1
Saika, A.2
-
2
-
-
84987071591
-
-
and references therein
-
S. Obara and A. Saika, J. Chem. Phys., 84, 3963 (1986); P. M. W. Gill and J. A. Pople, Int. J. Quantum Chem., 40, 753 (1991), and references therein.
-
(1991)
Int. J. Quantum Chem.
, vol.40
, pp. 753
-
-
Gill, P.M.W.1
Pople, J.A.2
-
3
-
-
0011432174
-
-
and references therein
-
Y. Won, J. Lee, M. N. Ringnalda, and R. A. Friesner, J. Chem. Phys. 94, 8152 (1991), and references therein.
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 8152
-
-
Won, Y.1
Lee, J.2
Ringnalda, M.N.3
Friesner, R.A.4
-
4
-
-
0003569570
-
-
Oxford Press, New York
-
R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford Press, New York, 1989); B. G. Johnson, P. M. W. Gill, and J. A. Pople, J. Chem. Phys., 98, 5612 (1993); T. Ziegler, Chem. Rev., 91, 651 (1991).
-
(1989)
Density-Functional Theory of Atoms and Molecules
-
-
Parr, R.G.1
Yang, W.2
-
5
-
-
16444375810
-
-
R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford Press, New York, 1989); B. G. Johnson, P. M. W. Gill, and J. A. Pople, J. Chem. Phys., 98, 5612 (1993); T. Ziegler, Chem. Rev., 91, 651 (1991).
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5612
-
-
Johnson, B.G.1
Gill, P.M.W.2
Pople, J.A.3
-
6
-
-
0344791553
-
-
R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford Press, New York, 1989); B. G. Johnson, P. M. W. Gill, and J. A. Pople, J. Chem. Phys., 98, 5612 (1993); T. Ziegler, Chem. Rev., 91, 651 (1991).
-
(1991)
Chem. Rev.
, vol.91
, pp. 651
-
-
Ziegler, T.1
-
7
-
-
36849112768
-
-
T. A. Halgren and W. N. Lipscomb, J. Chem. Phys., 58, 1569 (1973), T. A. Halgren and W. N. Lipscomb, Proc. Nat. Acad. Sci. U.S.A. 69, 652 (1972).
-
(1973)
J. Chem. Phys.
, vol.58
, pp. 1569
-
-
Halgren, T.A.1
Lipscomb, W.N.2
-
8
-
-
36849112768
-
-
T. A. Halgren and W. N. Lipscomb, J. Chem. Phys., 58, 1569 (1973), T. A. Halgren and W. N. Lipscomb, Proc. Nat. Acad. Sci. U.S.A. 69, 652 (1972).
-
(1972)
Proc. Nat. Acad. Sci. U.S.A.
, vol.69
, pp. 652
-
-
Halgren, T.A.1
Lipscomb, W.N.2
-
10
-
-
0011240983
-
-
T. A. Halgren, D. A. Kleier, J. H. Hall, Jr., L. D. Brown, and W. N. Lipscomb, J. Am. Chem. Soc., 100, 6595 (1978).
-
(1978)
J. Am. Chem. Soc.
, vol.100
, pp. 6595
-
-
Halgren, T.A.1
Kleier, D.A.2
Hall Jr., J.H.3
Brown, L.D.4
Lipscomb, W.N.5
-
18
-
-
36849105254
-
-
manuscript in preparation
-
M. R. Flannery and J. Levy II, J. Chem. Phys., 50, 2938 (1970); D. S. Marynick, manuscript in preparation.
-
-
-
Marynick, D.S.1
-
19
-
-
11744283687
-
-
W. J. Hehre, R. F. Stewart, and J. A. Pople, J. Chem. Phys., 51, 2657 (1969).
-
(1969)
J. Chem. Phys.
, vol.51
, pp. 2657
-
-
Hehre, W.J.1
Stewart, R.F.2
Pople, J.A.3
-
20
-
-
0003399528
-
-
Wiley, New York
-
W. J. Hehre, L. Radom, P. v. R. Schleyer, and J. A. Pople, Ab nitio Molecular Orbital Theory. Wiley, New York, 1986.
-
(1986)
Ab Nitio Molecular Orbital Theory
-
-
Hehre, W.J.1
Radom, L.2
Schleyer, P.V.R.3
Pople, J.A.4
|