-
6
-
-
0038661201
-
-
Geerlings, P.; De Proft, F.; Langenaeker, W. Chem. Rev. 2003, 103, 1793.
-
(2003)
Chem. Rev.
, vol.103
, pp. 1793
-
-
Geerlings, P.1
De Proft, F.2
Langenaeker, W.3
-
7
-
-
0003501246
-
-
Siemens Analytical X-ray Systems, Inc., Madison, Wisconsin, USA
-
Sheldrick, G. M. SAINT V4, Software Reference Manual, Siemens Analytical X-ray Systems, Inc., Madison, Wisconsin, USA, 1996.
-
(1996)
SAINT V4, Software Reference Manual
-
-
Sheldrick, G.M.1
-
8
-
-
0004150157
-
-
Siemens Analytical X-ray Systems, Inc., Madison, Wisconsin, USA
-
Sheldrick, G. M. SHELXTL V5, Reference Manual, Siemens Analytical X-ray Systems, Inc., Madison, Wisconsin, USA, 1996.
-
(1996)
SHELXTL V5, Reference Manual
-
-
Sheldrick, G.M.1
-
9
-
-
0003872738
-
-
Kluwer Academic Publishers, Dordrecht, Tables 6.1.1.4 (p. 500), 4.2.6.8 (p. 219)
-
Wilson, A. J. International Table for X-ray Crystallography, Vol. C, Kluwer Academic Publishers, Dordrecht, 1992, Tables 6.1.1.4 (p. 500), 4.2.6.8 (p. 219).
-
(1992)
International Table for X-ray Crystallography
, vol.100
-
-
Wilson, A.J.1
-
10
-
-
0842341771
-
-
Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F. J. Am. Chem. Soc. 1985, 107, 3902.
-
(1985)
Am. Chem. Soc.
, vol.107
, pp. 3902
-
-
Dewar, M.J.S.1
Zoebisch, E.G.2
Healy, E.F.J.3
-
11
-
-
2442481958
-
-
Peng, C.; Ayala, P. Y.; Schlegel, H. B.; Frisch, M. J. J. Comput. Chem. 1996, 17, 49.
-
(1996)
J. Comput. Chem.
, vol.17
, pp. 49
-
-
Peng, C.1
Ayala, P.Y.2
Schlegel, H.B.3
Frisch, M.J.4
-
12
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh PA
-
Frisch, J.; Tracks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, Revision A. 7, Gaussian, Inc., Pittsburgh PA, 1998.
-
(1998)
Gaussian 98, Revision A. 7
-
-
Frisch, J.1
Tracks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery Jr., J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Baboul, A.G.36
Stefanov, B.B.37
Liu, G.38
Liashenko, A.39
Piskorz, P.40
Komaromi, I.41
Gomperts, R.42
Martin, R.L.43
Fox, D.J.44
Keith, T.45
Al-Laham, M.A.46
Peng, C.Y.47
Nanayakkara, A.48
Gonzalez, C.49
Challacombe, M.50
Gill, P.M.W.51
Johnson, B.52
Chen, W.53
Wong, M.W.54
Andres, J.L.55
Gonzalez, C.56
Head-Gordon, M.57
Replogle, E.S.58
Pople, J.A.59
more..
-
17
-
-
0003399528
-
-
Weiley, New York
-
Hahre, W. J.; Radom, L.; Schleyer, P. V. R.; Pople, J. A. Ab Initia Molecular Orbital Theory, Weiley, New York, 1986.
-
(1986)
Ab Initia Molecular Orbital Theory
-
-
Hahre, W.J.1
Radom, L.2
Schleyer, P.V.R.3
Pople, J.A.4
-
21
-
-
0012459223
-
-
Petersilka, M.; Gossmann, U. J.; Gross, E. K. U. Phys. Rev. Lett. 1966, 76, 1212.
-
(1966)
Phys. Rev. Lett.
, vol.76
, pp. 1212
-
-
Petersilka, M.1
Gossmann, U.J.2
Gross, E.K.U.3
-
23
-
-
0011143186
-
-
Jamorski, C.; Casida, M. E.; Salahub, D. R. J. Chem. Phys. 1996, 104, 5134.
-
(1996)
Chem. Phys.
, vol.104
, pp. 5134
-
-
Jamorski, C.1
Casida, M.E.2
Salahub, D.R.J.3
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