-
4
-
-
38849196324
-
-
P. Ball, Chem. Rev. 108 (2008) 74.
-
(2008)
Chem. Rev
, vol.108
, pp. 74
-
-
Ball, P.1
-
8
-
-
67650726545
-
-
V.E. Matulis, Y.S. Halauko, O.A. Ivashkevich, P.N. Gaponik, J. Mol. Struct. (THEOCHEM) 909 (2009) 19.
-
(2009)
J. Mol. Struct. (THEOCHEM)
, vol.909
, pp. 19
-
-
Matulis, V.E.1
Halauko, Y.S.2
Ivashkevich, O.A.3
Gaponik, P.N.4
-
9
-
-
70249138723
-
-
N.-A. Sánchez-Bojorge, N. Flores-Holguín, D. Glossman-Mitnik, L.M. Rodríguez-Valdez, J. Mol. Struct. (THEOCHEM) 912 (2009) 119.
-
(2009)
J. Mol. Struct. (THEOCHEM)
, vol.912
, pp. 119
-
-
Sánchez-Bojorge, N.-A.1
Flores-Holguín, N.2
Glossman-Mitnik, D.3
Rodríguez-Valdez, L.M.4
-
16
-
-
0037212497
-
-
S. Winiwarter, F. Ax, H. Lennernäs, A. Hallberg, C. Pettersson, A. Karlén, J. Mol. Graph. Model. 21 (2003) 273.
-
(2003)
J. Mol. Graph. Model
, vol.21
, pp. 273
-
-
Winiwarter, S.1
Ax, F.2
Lennernäs, H.3
Hallberg, A.4
Pettersson, C.5
Karlén, A.6
-
21
-
-
0037196325
-
-
A. Klamt, F. Eckert, M. Hornig, M.E. Beck, T. Bürger, J. Comput. Chem. 23 (2002) 275.
-
(2002)
J. Comput. Chem
, vol.23
, pp. 275
-
-
Klamt, A.1
Eckert, F.2
Hornig, M.3
Beck, M.E.4
Bürger, T.5
-
23
-
-
65349094492
-
-
J. Ma, D. Alfè, A. Michaelides, E. Wang, J. Chem. Phys. 130 (2009) 154303.
-
(2009)
J. Chem. Phys
, vol.130
, pp. 154303
-
-
Ma, J.1
Alfè, D.2
Michaelides, A.3
Wang, E.4
-
26
-
-
84873055189
-
-
Wiley, New York
-
W.J. Hehre, L. Radom, P.V.R. Schleyer, J.A. Pople, Ab Initio Molecular Orbital Theory, Wiley, New York, 1986.
-
(1986)
Ab Initio Molecular Orbital Theory
-
-
Hehre, W.J.1
Radom, L.2
Schleyer, P.V.R.3
Pople, J.A.4
-
27
-
-
0003422992
-
-
Pittsburgh, PA
-
J.B. Foresman, E. Frisch, Exploring Chemistry with Electronic Structure Methods, Gaussian Inc., Pittsburgh, PA, 1996.
-
(1996)
Exploring Chemistry with Electronic Structure Methods, Gaussian Inc
-
-
Foresman, J.B.1
Frisch, E.2
-
28
-
-
11344274827
-
-
Pittsburgh, PA
-
M.J. Frisch, G.W. Trucks, H.B. Schlegal, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zarkrzewski, J.A. Montgomery Jr., R.E. Stratman, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudinm, M.C. Strain, O. Farkas, J. Tomasi, V. Baroni, M. Cossi, R. Cammi, B. Mannuci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Raghvachari, J.B. Foresman, J.V. Oritz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Kamaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogei, J.A. Pople, Gaussian 98, Revision-A.11.2, Gaussian Inc., Pittsburgh, PA, 2001.
-
(2001)
Gaussian 98, Revision-A.11.2, Gaussian Inc.
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegal, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zarkrzewski, V.G.7
Montgomery Jr., J.A.8
Stratman, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudinm, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Baroni, V.18
Cossi, M.19
Cammi, R.20
Mannuci, 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
Raghvachari, K.29
Foresman, J.B.30
Oritz, J.V.31
Baboul, A.G.32
Stefanov, B.B.33
Liu, G.34
Liashenko, A.35
Piskorz, P.36
Kamaromi, I.37
Gomperts, R.38
Martin, R.L.39
Fox, D.J.40
Keith, T.41
Al-Laham, M.A.42
Peng, C.Y.43
Nanayakkara, A.44
Challacombe, M.45
Gill, P.M.W.46
Johnson, B.47
Chen, W.48
Wong, M.W.49
Andres, J.L.50
Gonzalez, C.51
Head-Gordon, M.52
Replogei, E.S.53
Pople, J.A.54
more..
-
38
-
-
0011639217
-
-
H.-J. Böhm, G. Klebe, S. Brode, U. Hesse, Chem. Eur. J. 2 (1996) 1509.
-
(1996)
Chem. Eur. J.
, vol.2
, pp. 1509
-
-
Böhm, H.-J.1
Klebe, G.2
Brode, S.3
Hesse, U.4
-
39
-
-
0000826617
-
-
I. Nobeli, S.L. Price, J.P.M. Lommerse, R. Taylor, J. Comput. Chem. 18 (1997) 2060.
-
(1997)
J. Comput. Chem.
, vol.18
, pp. 2060
-
-
Nobeli, I.1
Price, S.L.2
Lommerse, J.P.M.3
Taylor, R.4
|