-
1
-
-
0032576767
-
-
Reedern, E. G.; Grams, F.; Brandstetter, H.; Moroder, L. J. Med. Chem. 1998, 41, 339.
-
(1998)
J. Med. Chem.
, vol.41
, pp. 339
-
-
Reedern, E.G.1
Grams, F.2
Brandstetter, H.3
Moroder, L.4
-
2
-
-
0001724544
-
-
Derbyshire, W.; Gorvin, T. C.; Warmer, D. J. Mol Phys. 1969, 17, 401.
-
(1969)
J. Mol Phys.
, vol.17
, pp. 401
-
-
Derbyshire, W.1
Gorvin, T.C.2
Warmer, D.3
-
3
-
-
0342418494
-
-
Ganguly, S.; Fernandes, J. R.; Desiraju, G. R.; Rao, C. N. Chem. Phys. Lett. 1980, 69, 227.
-
(1980)
Chem. Phys. Lett.
, vol.69
, pp. 227
-
-
Ganguly, S.1
Fernandes, J.R.2
Desiraju, G.R.3
Rao, C.N.4
-
4
-
-
0038919024
-
-
Rao, C. N.; Ganguly, S.; Swamy, H. R. Croat. Chem. Acta 1982, 55, 207.
-
(1982)
Croat. Chem. Acta
, vol.55
, pp. 207
-
-
Rao, C.N.1
Ganguly, S.2
Swamy, H.R.3
-
6
-
-
33645953208
-
-
Delaplane, R. C.; David, W. I. F.; Wilson, C. C. Chem. Phys. Lett. 1993, 207, 75.
-
(1993)
Chem. Phys. Lett.
, vol.207
, pp. 75
-
-
Delaplane, R.C.1
David, W.I.F.2
Wilson, C.C.3
-
7
-
-
0345280013
-
-
Fausto, R.; Maçôas, E. M. S.; Kulbida, A. J. Mol Struct. 1999, 480-481, 83.
-
(1999)
J. Mol Struct.
, vol.480-481
, pp. 83
-
-
Fausto, R.1
Maçôas, E.M.S.2
Kulbida, A.3
-
8
-
-
0012300601
-
-
Merchán, M.; Tomás, F.; Nebot-Gil, I. J. Mol. Struct. (THEOCHEM) 1984, 109, 51.
-
(1984)
J. Mol. Struct. (THEOCHEM)
, vol.109
, pp. 51
-
-
Merchán, M.1
Tomás, F.2
Nebot-Gil, I.3
-
10
-
-
0347170005
-
-
Hehre, J. W.; Ditchefield, R.; Pople, J. A. J. Chem. Phys. 1972, 56, 2257.
-
(1972)
J. Chem. Phys.
, vol.56
, pp. 2257
-
-
Hehre, J.W.1
Ditchefield, R.2
Pople, J.A.3
-
14
-
-
0345491105
-
-
(b) Lee, C.; Yang, W.; Pair, R. G. Phys. Reu. 1988, B37, 785;
-
(1988)
Phys. Reu.
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Pair, R.G.3
-
15
-
-
0038596731
-
-
Miehlich, B.; Savin, A.; Stoll, H.; Preuss, H. Chem. Phys. Lett. 1989, 157, 200.
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 200
-
-
Miehlich, B.1
Savin, A.2
Stoll, H.3
Preuss, H.4
-
16
-
-
84887525551
-
-
Gaussian Inc.: Pittsburgh, PA
-
(a) Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Wong, M. W.; Foresman, J. B.; Robb, M. A.; Head-Gordon, M.; Replogle, E. S.; Gomperts, R.; Andres, J. L.; Raghavachari, K.; Binkley, J. S.; Gonzalez, C.; Martin R. L.; Fox, D. J.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A. GAUSSIAN92 OFT (revision G.2); Gaussian Inc.: Pittsburgh, PA, 1993.
-
(1993)
GAUSSIAN92 OFT (Revision G.2)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Wong, M.W.6
Foresman, J.B.7
Robb, M.A.8
Head-Gordon, M.9
Replogle, E.S.10
Gomperts, R.11
Andres, J.L.12
Raghavachari, K.13
Binkley, J.S.14
Gonzalez, C.15
Martin, R.L.16
Fox, D.J.17
Defrees, D.J.18
Baker, J.19
Stewart, J.J.P.20
Pople, J.A.21
more..
-
17
-
-
0010922186
-
-
Gaussian Inc.: Pittsburgh, PA
-
(b) Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; ' Head-Gordon, M.; Gonzalez, C.; Pople, J. A. GAUSSIAN 94, Revision B. 1; Gaussian Inc.: Pittsburgh, PA, 1995.
-
(1995)
GAUSSIAN 94, Revision B. 1
-
-
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
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.J.P.32
'Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
18
-
-
84986468715
-
-
Clark, T.; Chandrasekhar, J.; Spitznagel, G. W.; Schleyer, P. V. R. J. Comput. Chem. 1983, 4, 294.
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 294
-
-
Clark, T.1
Chandrasekhar, J.2
Spitznagel, G.W.3
Schleyer, P.V.R.4
-
19
-
-
36549091139
-
-
Frisch, M. J.; Pople, J. A.; Binkley, J. S. J. Chem. Phys. 1984, 80, 3265.
-
(1984)
Chem. Phys.
, vol.80
, pp. 3265
-
-
Frisch, M.J.1
Pople, J.A.2
Binkley, J.S.J.3
-
20
-
-
0004125291
-
-
Chemistry Department, University of Coimbra: Coimbra, Portugal
-
Fausto R. TRANSFORMER (version 2.0); Chemistry Department, University of Coimbra: Coimbra, Portugal, 1997.
-
(1997)
TRANSFORMER (Version 2.0)
-
-
Fausto, R.1
-
21
-
-
85037445982
-
-
Chemistry Department, University of Coimbra: Coimbra, Portugal, These programs incorporate several routines from programs GMAT and FPERT
-
Fana, M. D. G.; Fausto R. BUILD-G (version 2.0) and VIBRAT (version 2.0); Chemistry Department, University of Coimbra: Coimbra, Portugal, 1997. (These programs incorporate several routines from programs GMAT and FPERT:
-
(1997)
BUILD-G (Version 2.0) and VIBRAT (Version 2.0)
-
-
Fana, M.D.G.1
Fausto, R.2
-
22
-
-
0002735640
-
-
Fuher, H.; Karma, V. B.; Krueger, P. J.; Manisch, H. H. Natl. Res. Council Can. Bull. 1976, 15, 1.
-
(1976)
Natl. Res. Council Can. Bull.
, vol.15
, pp. 1
-
-
Fuher, H.1
Karma, V.B.2
Krueger, P.J.3
Manisch, H.H.4
-
23
-
-
0141435445
-
-
Maçôas, E. M. S.; Fausto, R.; Pettersson, M.; Khriachtchev, L.; Räsänen, M. J. Phys. Chem. A 2000, 104, 6956.
-
(2000)
J. Phys. Chem. a
, vol.104
, pp. 6956
-
-
Maçôas, E.M.S.1
Fausto, R.2
Pettersson, M.3
Khriachtchev, L.4
Räsänen, M.5
-
24
-
-
0003177246
-
-
Fausto, R., Ed.; NATO Advanced Study Institute Series C483; Kluwer Academic: Amsterdam
-
Fausto, R. Low-Temperature Molecular Spectroscopy; Fausto, R., Ed.; NATO Advanced Study Institute Series C483; Kluwer Academic: Amsterdam, 1996; p 125.
-
(1996)
Low-Temperature Molecular Spectroscopy
, pp. 125
-
-
Fausto, R.1
-
25
-
-
19544371446
-
-
Nieminen, J.; Räsänen, M.; Murto, J. J. Phys. Chem. 1992, 96, 5303-5308.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 5303-5308
-
-
Nieminen, J.1
Räsänen, M.2
Murto, J.3
-
26
-
-
0031453434
-
-
Pettersson, M.; Lundell, J.; Khriachtchev, L.; Räsänen, M. J. Am. Chem. Soc. 1997, 119, 11715.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 11715
-
-
Pettersson, M.1
Lundell, J.2
Khriachtchev, L.3
Räsänen, M.4
|