-
3
-
-
0035353481
-
-
P. v. R. Schleyer Ed
-
P. v. R. Schleyer (Ed.), Chem. Rev. 101 (2001) 1115-1118.
-
(2001)
Chem. Rev
, vol.101
, pp. 1115-1118
-
-
-
4
-
-
0004142484
-
-
John Wiley and Sons, New York
-
V. I. Minkin, M. N. Glukhovtsev, and B. Y. Simkin, Aromaticity and Antiaromaticity: Electronic and Structural Aspects, John Wiley and Sons, New York, 1994.
-
(1994)
Aromaticity and Antiaromaticity: Electronic and Structural Aspects
-
-
Minkin, V.I.1
Glukhovtsev, M.N.2
Simkin, B.Y.3
-
9
-
-
0000345199
-
-
A. R. Katritzky, M. Karelson, S. Sild, and T. M. Krygowski, J. Org. Chem. 63 (1998) 5228-5231.
-
(1998)
J. Org. Chem
, vol.63
, pp. 5228-5231
-
-
Katritzky, A.R.1
Karelson, M.2
Sild, S.3
Krygowski, T.M.4
-
10
-
-
0042621862
-
-
A. R. Katritzky, P. Barczynski, G. Musumarra, D. Pisano, and M. Szafran, J. Am. Chem. Soc. 111 (1989) 7-15.
-
(1989)
J. Am. Chem. Soc
, vol.111
, pp. 7-15
-
-
Katritzky, A.R.1
Barczynski, P.2
Musumarra, G.3
Pisano, D.4
Szafran, M.5
-
11
-
-
0011190497
-
-
P. v. R. Schleyer, Ch. Mareker, A. Dransfeld, H. Jiao, and N. J. R. van Eikema Hommes, J. Am. Chem. Soc. 118 (1996) 6317-6318.
-
(1996)
J. Am. Chem. Soc
, vol.118
, pp. 6317-6318
-
-
Schleyer, P.V.R.1
Mareker, C.2
Dransfeld, A.3
Jiao, H.4
van Eikema Hommes, N.J.R.5
-
12
-
-
0030586039
-
-
C. W. Bird, Tetrahedron 52 (1996) 9945-9952.
-
(1996)
Tetrahedron
, vol.52
, pp. 9945-9952
-
-
Bird, C.W.1
-
13
-
-
33748247829
-
-
P. v. R. Schleyer, P. K. Freeman, H. Jiao, and B. Goldfuss, Angew. Chem., Int. Ed. Engl. 34 (1995) 337-340.
-
(1995)
Angew. Chem., Int. Ed. Engl
, vol.34
, pp. 337-340
-
-
Schleyer, P.V.R.1
Freeman, P.K.2
Jiao, H.3
Goldfuss, B.4
-
15
-
-
0034254102
-
-
M. Giambiagi, M. S. Giambiagi, C. D. dos Santos, and A. P. de Figueiredo, Phys. Chem. Chem. Phys. 2 (2000) 3381-3392.
-
(2000)
Phys. Chem. Chem. Phys
, vol.2
, pp. 3381-3392
-
-
Giambiagi, M.1
Giambiagi, M.S.2
dos Santos, C.D.3
de Figueiredo, A.P.4
-
18
-
-
5444259064
-
Quantum Similarity and Quantitative Structure-Activity Relationships
-
P. Bultinck, H. De Winter, W. Langenaeker, and J. P. Tollenaere Eds, Dekker, Inc, New York, pp
-
R. Carbó-Dorca and X. Gironés, Quantum Similarity and Quantitative Structure-Activity Relationships, in: P. Bultinck, H. De Winter, W. Langenaeker, and J. P. Tollenaere (Eds.), Computational Medicinal Chemistry for Drug Discovery, Dekker, Inc., New York., pp. 364-386.
-
Computational Medicinal Chemistry for Drug Discovery
, pp. 364-386
-
-
Carbó-Dorca, R.1
Gironés, X.2
-
19
-
-
23644453149
-
Molecular Quantum Similarity: Theory and Applications
-
K. B. Lipkowitz, R. Larter, and T. Cundari (Eds, John Wiley, Hoboken USA
-
P. Bultinck, X. Girones, and R. Carbó-Dorca, Molecular Quantum Similarity: Theory and Applications, in: K. B. Lipkowitz, R. Larter, and T. Cundari (Eds.), Reviews in Computational Chemistry Vol. 21, John Wiley, Hoboken (USA), 2005, pp. 127-207.
-
(2005)
Reviews in Computational Chemistry
, vol.21
, pp. 127-207
-
-
Bultinck, P.1
Girones, X.2
Carbó-Dorca, R.3
-
29
-
-
33846434745
-
-
Gaussian 03, Revision B.05, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr, T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanaya
-
Gaussian 03, Revision B.05, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, 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, C. Gonzalez, and J. A. Pople, Gaussian, Inc., Wallingford CT, 2004.
-
-
-
-
34
-
-
33645949559
-
-
M. M. Francl, W. J. Petro, W. J. Hehre, J. S. Binkley, M. S. Gordon, D. J. DeFrees, and J. A. Pople, J. Chem. Phys. 77 (1982) 3654-3665.
-
(1982)
J. Chem. Phys
, vol.77
, pp. 3654-3665
-
-
Francl, M.M.1
Petro, W.J.2
Hehre, W.J.3
Binkley, J.S.4
Gordon, M.S.5
DeFrees, D.J.6
Pople, J.A.7
-
39
-
-
0037455221
-
-
J. Poater, X. Fradera, M. Duran, and M. Sola, Chem. Eur. J. 9 (2003) 400-406.
-
(2003)
Chem. Eur. J
, vol.9
, pp. 400-406
-
-
Poater, J.1
Fradera, X.2
Duran, M.3
Sola, M.4
|