-
3
-
-
0000747226
-
-
J. L. Hoard, S. Geller and W. M. Cashin, Acta Crystallogr., 1951, 4, 396.
-
(1951)
Acta Crystallogr.
, vol.4
, pp. 396
-
-
Hoard, J.L.1
Geller, S.2
Cashin, W.M.3
-
6
-
-
0001427606
-
-
M. A. Dvorak, R. S. Ford, R. D. Suenram, F. J. Lovas and K. R. Leopold, J. Am. Chem. Soc., 1992, 114, 108.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 108
-
-
Dvorak, M.A.1
Ford, R.S.2
Suenram, R.D.3
Lovas, F.J.4
Leopold, K.R.5
-
9
-
-
0001062916
-
-
J. L. Hoard, S. Geller and T. B. Owen, Acta Crystallogr., 1951, 4, 405.
-
(1951)
Acta Crystallogr.
, vol.4
, pp. 405
-
-
Hoard, J.L.1
Geller, S.2
Owen, T.B.3
-
10
-
-
84873055189
-
-
Wiley Interscience, NY
-
W. J. Hehre, L. Radom, P. v. R. Schleyer and J. A. Pople, Ab Initio Molecular Orbital Theory, Wiley Interscience, NY, 1986, p. 217.
-
(1986)
Ab Initio Molecular Orbital Theory
, pp. 217
-
-
Hehre, W.J.1
Radom, L.2
Schleyer, P.v. R.3
Pople, J.A.4
-
15
-
-
36749108488
-
-
L. R. Thorne, R. D. Suenram and F. J. Lovas, J. Chem. Phys., 1983, 78, 167.
-
(1983)
J. Chem. Phys.
, vol.78
, pp. 167
-
-
Thorne, L.R.1
Suenram, R.D.2
Lovas, F.J.3
-
17
-
-
0001220613
-
-
M. Bühl, T. Steinke, P. v. R. Schleyer and R. Roese, Angew Chem., 1991, 103, 1179.
-
(1991)
Angew Chem.
, vol.103
, pp. 1179
-
-
Bühl, M.1
Steinke, T.2
Schleyer, P.v. R.3
Roese, R.4
-
18
-
-
84962467034
-
-
M. Bühl, T. Steinke, P. v. R. Schleyer and R. Roese, Angew. Chem., Int. Ed. Engl., 1991, 30, 1160.
-
(1991)
Angew. Chem., Int. Ed. Engl.
, vol.30
, pp. 1160
-
-
Bühl, M.1
Steinke, T.2
Schleyer, P.v. R.3
Roese, R.4
-
19
-
-
0010191845
-
-
P. Cassoux, R. L. Kuczkowski, P. S. Bryan and R. C. Taylor, Inorg. Chem., 1975, 14, 126.
-
(1975)
Inorg. Chem.
, vol.14
, pp. 126
-
-
Cassoux, P.1
Kuczkowski, R.L.2
Bryan, P.S.3
Taylor, R.C.4
-
20
-
-
0021517170
-
-
K. Iijima, N. Adachi and S. Shibata, Bull. Chem. Soc. Jpn., 1984, 57, 3269.
-
(1984)
Bull. Chem. Soc. Jpn.
, vol.57
, pp. 3269
-
-
Iijima, K.1
Adachi, N.2
Shibata, S.3
-
21
-
-
84884501597
-
-
Gaussian Inc., Pittsburgh, PA
-
Gaussian 92, Revision, A. M. J. Frisch, G. W. Trucks, M. Head-gordon, P. M. W. Gill, M. W. Wong, J. B. Foresman, H. B. Schlegel, K. Raghavachari, M. A. Robb, J. S. Binkley, C. Gonzalez, R. Martin, D. J. Fox, D. J. DeFrees, J. Baker, J. J. P. Stewart and J. A. Pople, Gaussian Inc., Pittsburgh, PA, 1992.
-
(1992)
Gaussian 92, Revision
-
-
Frisch, A.M.J.1
Trucks, G.W.2
Head-gordon, M.3
Gill, P.M.W.4
Wong, M.W.5
Foresman, J.B.6
Schlegel, H.B.7
Raghavachari, K.8
Robb, M.A.9
Binkley, J.S.10
Gonzalez, C.11
Martin, R.12
Fox, D.J.13
DeFrees, D.J.14
Baker, J.15
Stewart, J.J.P.16
Pople, J.A.17
-
23
-
-
4243539377
-
-
R. Ahlrichs, M. Bär, M. Häser, H. Horn and C. Kölmel, Chem. Phys. Lett., 1989, 162, 165.
-
(1989)
Chem. Phys. Lett.
, vol.162
, pp. 165
-
-
Ahlrichs, R.1
Bär, M.2
Häser, M.3
Horn, H.4
Kölmel, C.5
-
24
-
-
33645226065
-
-
H. Horn, H. Weiss, M. Häser, M. Ehrig and R. Ahlrichs, J. Comput. Chem., 1991, 12, 1058.
-
(1991)
J. Comput. Chem.
, vol.12
, pp. 1058
-
-
Horn, H.1
Weiss, H.2
Häser, M.3
Ehrig, M.4
Ahlrichs, R.5
-
25
-
-
0000023843
-
-
M. Häser, J. Almlöf and M. W. Feyereisen, Theoret. Chim. Acta, 1991, 79, 115.
-
(1991)
Theoret. Chim. Acta
, vol.79
, pp. 115
-
-
Häser, M.1
Almlöf, J.2
Feyereisen, M.W.3
-
28
-
-
84987059635
-
-
J. S. Binkley and J. A. Pople, Intern, J. Quantum Chem., 1975, 9, 229.
-
(1975)
Intern, J. Quantum Chem.
, vol.9
, pp. 229
-
-
Binkley, J.S.1
Pople, J.A.2
-
29
-
-
0000141448
-
-
R. Ditchfield, W. J. Hehre and J. A. Pople, J. Chem. Phys., 1971, 54, 724.
-
(1971)
J. Chem. Phys.
, vol.54
, pp. 724
-
-
Ditchfield, R.1
Hehre, W.J.2
Pople, J.A.3
-
30
-
-
0347170005
-
-
W. J. Hehre, R. Ditchfield and J. A. Pople, J. Chem. Phys., 1972, 56, 2257.
-
(1972)
J. Chem. Phys.
, vol.56
, pp. 2257
-
-
Hehre, W.J.1
Ditchfield, R.2
Pople, J.A.3
-
32
-
-
0004040140
-
-
TZ2P for B, C, N: (9s5p2d)/[5s3p2d]. TZ2P for H: (5s2p)/[3s2p], Department of Chemistry Report, University of Alberta, Canada
-
TZ2P for B, C, N: (9s5p2d)/[5s3p2d]. TZ2P for H: (5s2p)/[3s2p]. and S. Huzinaga, Approximate Atomic Wavefunctions, Department of Chemistry Report, University of Alberta, Canada, 1971.
-
(1971)
Approximate Atomic Wavefunctions
-
-
Huzinaga, S.1
-
33
-
-
0011682081
-
-
J. A. Pople, M. Head-Gordon and K. Raghavachari, J. Chem. Phys., 1987, 87, 5968.
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 5968
-
-
Pople, J.A.1
Head-Gordon, M.2
Raghavachari, K.3
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