-
1
-
-
24444468650
-
-
M.J.S. Dewar, W.J. Thiel, J. Am. Chem. Soc., 99 (1977) 4899; M.J.S. Dewar, E.G. Zoebisch, E.F. Healy, J.J.P. Stewart, J. Am. Chem. Soc., 107 (1985) 3902; J.J.P. Stewart, J. Comp. Chem., 10 (1989) 209; M.J.S. Dewar, C. Jie, J. Yu, Tetrahedron 49 (1993) 5003.
-
(1977)
J. Am. Chem. Soc.
, vol.99
, pp. 4899
-
-
Dewar, M.J.S.1
Thiel, W.J.2
-
2
-
-
0842341771
-
-
M.J.S. Dewar, W.J. Thiel, J. Am. Chem. Soc., 99 (1977) 4899; M.J.S. Dewar, E.G. Zoebisch, E.F. Healy, J.J.P. Stewart, J. Am. Chem. Soc., 107 (1985) 3902; J.J.P. Stewart, J. Comp. Chem., 10 (1989) 209; M.J.S. Dewar, C. Jie, J. Yu, Tetrahedron 49 (1993) 5003.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 3902
-
-
Dewar, M.J.S.1
Zoebisch, E.G.2
Healy, E.F.3
Stewart, J.J.P.4
-
3
-
-
84988129057
-
-
M.J.S. Dewar, W.J. Thiel, J. Am. Chem. Soc., 99 (1977) 4899; M.J.S. Dewar, E.G. Zoebisch, E.F. Healy, J.J.P. Stewart, J. Am. Chem. Soc., 107 (1985) 3902; J.J.P. Stewart, J. Comp. Chem., 10 (1989) 209; M.J.S. Dewar, C. Jie, J. Yu, Tetrahedron 49 (1993) 5003.
-
(1989)
J. Comp. Chem.
, vol.10
, pp. 209
-
-
Stewart, J.J.P.1
-
4
-
-
0027223591
-
-
M.J.S. Dewar, W.J. Thiel, J. Am. Chem. Soc., 99 (1977) 4899; M.J.S. Dewar, E.G. Zoebisch, E.F. Healy, J.J.P. Stewart, J. Am. Chem. Soc., 107 (1985) 3902; J.J.P. Stewart, J. Comp. Chem., 10 (1989) 209; M.J.S. Dewar, C. Jie, J. Yu, Tetrahedron 49 (1993) 5003.
-
(1993)
Tetrahedron
, vol.49
, pp. 5003
-
-
Dewar, M.J.S.1
Jie, C.2
Yu, J.3
-
6
-
-
84986431159
-
-
G. Tasi, I. Kiricsi, H. Förster, J. Comp. Chem., 13 (1992) 371; G. Tasi, I. Pálinkó, L. Nyerges, P. Fejes, H. Förster, J. Chem. Inf. Comput. Sci., 33 (1993) 296.
-
(1992)
J. Comp. Chem.
, vol.13
, pp. 371
-
-
Tasi, G.1
Kiricsi, I.2
Förster, H.3
-
7
-
-
0006844306
-
-
G. Tasi, I. Kiricsi, H. Förster, J. Comp. Chem., 13 (1992) 371; G. Tasi, I. Pálinkó, L. Nyerges, P. Fejes, H. Förster, J. Chem. Inf. Comput. Sci., 33 (1993) 296.
-
(1993)
J. Chem. Inf. Comput. Sci.
, vol.33
, pp. 296
-
-
Tasi, G.1
Pálinkó, I.2
Nyerges, L.3
Fejes, P.4
Förster, H.5
-
11
-
-
8144229903
-
-
A.R. Mochel, A. Bjoerseth, C.O. Britt, J.E. Boggs, J. Mol. Spectr., 48 (1973) 107.
-
(1973)
J. Mol. Spectr.
, vol.48
, pp. 107
-
-
Mochel, A.R.1
Bjoerseth, A.2
Britt, C.O.3
Boggs, J.E.4
-
12
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh, PA
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, Gaussian 94, Revision B.3, Gaussian, Inc., Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94, Revision B.3
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Peng, C.Y.16
Ayala, P.Y.17
Chen, W.18
Wong, M.W.19
Andres, J.L.20
Replogle, E.S.21
Gomperts, R.22
Martin, R.L.23
Fox, D.J.24
Binkley, J.S.25
Defrees, D.J.26
Baker, J.27
Stewart, J.P.28
Head-Gordon, M.29
Gonzalez, C.30
Pople, J.A.31
more..
-
13
-
-
0011640677
-
-
CheMicro Limited, Budapest
-
G. Tasi, I. Pálinkó, J. Halász, G. Náray-Szabó, PcMol: Semi-empirical Calculations on Microcomputers, CheMicro Limited, Budapest, 1992.
-
(1992)
PcMol: Semi-empirical Calculations on Microcomputers
-
-
Tasi, G.1
Pálinkó, I.2
Halász, J.3
Náray-Szabó, G.4
-
15
-
-
84873055189
-
-
Wiley, New York
-
W.J. Hehre, L. Radom, P.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.R.3
Pople, J.A.4
-
16
-
-
0003418034
-
-
Oxford University Press, New York
-
Y. Yamaguchi, Y. Osamura, J.D. Goddard, H.F. Schaffer, III, A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory, Oxford University Press, New York, 1994.
-
(1994)
A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory
-
-
Yamaguchi, Y.1
Osamura, Y.2
Goddard, J.D.3
Schaffer H.F. III4
-
28
-
-
0003345532
-
-
R.D. Nelson, D.R. Lide, A.A. Maryott, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand., 10 (1967).
-
(1967)
Natl. Stand. Ref. Data Ser., Natl. Bur. Stand.
, vol.10
-
-
Nelson, R.D.1
Lide, D.R.2
Maryott, A.A.3
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