-
4
-
-
0000588279
-
-
D. B. Chesnut, B. E. Rusiloski, K. D. Moore, and D. A. Egolf, J. Comput. Chem. 14, 1364 (1993).
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 1364
-
-
Chesnut, D.B.1
Rusiloski, B.E.2
Moore, K.D.3
Egolf, D.A.4
-
16
-
-
0041401966
-
-
L. A. Curtiss, K. Raghavachari, G. W. Trucks, and J. A. Pople, J. Chem. Phys. 94, 7221 (1991).
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 7221
-
-
Curtiss, L.A.1
Raghavachari, K.2
Trucks, G.W.3
Pople, J.A.4
-
17
-
-
0012154673
-
-
L. A. Curtiss, K. Raghavachari, P. C. Redfern, V. Rassolov, and J. A. Pople, J. Chem. Phys. 109, 7764 (1998).
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 7764
-
-
Curtiss, L.A.1
Raghavachari, K.2
Redfern, P.C.3
Rassolov, V.4
Pople, J.A.5
-
18
-
-
0028887772
-
-
D. D. Laws, H. B. Le, A. C. Dedios, R. H. Halvin, and E. Oldfield, J. Am. Chem. Soc. 117, 9542 (1995).
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 9542
-
-
Laws, D.D.1
Le, H.B.2
Dedios, A.C.3
Halvin, R.H.4
Oldfield, E.5
-
19
-
-
84994924775
-
-
Y. He, D. H. Wu, L. F. Shen, B. W. Li, and G. A. Webb, Magn. Reson. Chem. 33, 701 (1995).
-
(1995)
Magn. Reson. Chem.
, vol.33
, pp. 701
-
-
He, Y.1
Wu, D.H.2
Shen, L.F.3
Li, B.W.4
Webb, G.A.5
-
24
-
-
0001723277
-
-
N. Godbout, R. Havlin, R. Salzmann, P. G. Debrunner, and E. Oldfield, J. Phys. Chem. A 102, 2342 (1998).
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 2342
-
-
Godbout, N.1
Havlin, R.2
Salzmann, R.3
Debrunner, P.G.4
Oldfield, E.5
-
25
-
-
0011580892
-
-
G. A. Webb, P. B. Karadakov, and J. A. England, Bull. Pol. Acad. Sci., Chem. 48, 101 (2000).
-
(2000)
Bull. Pol. Acad. Sci., Chem.
, vol.48
, pp. 101
-
-
Webb, G.A.1
Karadakov, P.B.2
England, J.A.3
-
26
-
-
0035115472
-
-
V. N. Nemykin, N. Kobayashi, V. Y. Chernii, and V. K. Belsky, Eur. J. Inorg. Chem. 3, 733 (2001).
-
(2001)
Eur. J. Inorg. Chem.
, vol.3
, pp. 733
-
-
Nemykin, V.N.1
Kobayashi, N.2
Chernii, V.Y.3
Belsky, V.K.4
-
30
-
-
4444273246
-
-
J. A. Vila, H. A. Baldoni, D. R. Ripoll, and H. A. Scheraga, Proteins: Struct., Funct., Genet. 57, 87 (2004).
-
(2004)
Proteins: Struct., Funct., Genet.
, vol.57
, pp. 87
-
-
Vila, J.A.1
Baldoni, H.A.2
Ripoll, D.R.3
Scheraga, H.A.4
-
31
-
-
33645874511
-
-
M. Sanchez, P. F. Provasi, G. A. Aucar, and S. P. A. Sauer, Adv. Quantum Chem. 48, 161 (2005).
-
(2005)
Adv. Quantum Chem.
, vol.48
, pp. 161
-
-
Sanchez, M.1
Provasi, P.F.2
Aucar, G.A.3
Sauer, S.P.A.4
-
32
-
-
31144441067
-
-
M. Svensson, S. Humbel, R. D. J. Froese, T. Matsubara, S. Sieber, and K. Morokuma, J. Phys. Chem. 100, 19357 (1996).
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 19357
-
-
Svensson, M.1
Humbel, S.2
Froese, R.D.J.3
Matsubara, T.4
Sieber, S.5
Morokuma, K.6
-
33
-
-
0033515394
-
-
S. Dapprich, I. Komáromi, K. S. Byun, K. Morokuma, and M. Frisch, J. Mol. Struct.: THEOCHEM 461-462, 1 (1999).
-
(1999)
J. Mol. Struct.: THEOCHEM
, vol.461-462
, pp. 1
-
-
Dapprich, S.1
Komáromi, I.2
Byun, K.S.3
Morokuma, K.4
Frisch, M.5
-
40
-
-
0020091378
-
-
R. F. W. Bader, T.-H. Tang, Y. Tal, and F. W. Biegler-Koenig, J. Am. Chem. Soc. 104, 946 (1982).
-
(1982)
J. Am. Chem. Soc.
, vol.104
, pp. 946
-
-
Bader, R.F.W.1
Tang, T.-H.2
Tal, Y.3
Biegler-Koenig, F.W.4
-
41
-
-
0004114635
-
-
edited by R.Erdahl and V. H.Smith, Jr. (Reidel, Dordrecht
-
R. F. W. Bader and K. B. Wiberg, in Density Matrices and Density Functionals, edited by, R. Erdahl, and, V. H. Smith, Jr., (Reidel, Dordrecht, 1987).
-
(1987)
Density Matrices and Density Functionals
-
-
Bader, R.F.W.1
Wiberg, K.B.2
-
42
-
-
33745786642
-
-
N. Singh, R. J. Loader, P. J. O'Malley, and P. L. A. Popelier, J. Phys. Chem. A 110, 6498 (2006).
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 6498
-
-
Singh, N.1
Loader, R.J.2
O'Malley, P.J.3
Popelier, P.L.A.4
-
48
-
-
33751559453
-
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Revision B.03, Gaussian Inc., Pittsburgh, PA, 2003.
-
(2003)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
-
49
-
-
33751556855
-
-
R. F. W. Bader, AIMPAC (http://www.chemistry.mcmaster.ca/aimpac/).
-
-
-
Bader, R.F.W.1
-
50
-
-
33751584307
-
-
T. A. Keith, AIMALL97 (for DOS/Windows), 1997.
-
(1997)
-
-
Keith, T.A.1
|