-
4
-
-
0347847268
-
-
R. Faure, J. Llinares, R.M. Claramunt and J. Elguero, Spectrosc. Int. J. 2 (1983), 381-392.
-
(1983)
Spectrosc. Int. J.
, vol.2
, pp. 381-392
-
-
Faure, R.1
Llinares, J.2
Claramunt, R.M.3
Elguero, J.4
-
7
-
-
85041944712
-
Pyrazoles as drugs: Facts and fantasies
-
Italian Society of Chemistry, Roma
-
J. Elguero, P. Goya, N. Jagerovic and A.M.S. Silva, Pyrazoles as drugs: facts and fantasies, in: Targets in Heterocyclic Systems, Vol. 6, Italian Society of Chemistry, Roma, 2002, pp. 52-98.
-
(2002)
Targets in Heterocyclic Systems
, vol.6
, pp. 52-98
-
-
Elguero, J.1
Goya, P.2
Jagerovic, N.3
Silva, A.M.S.4
-
12
-
-
0034051114
-
-
J. Fischer, P. Todd, D. Mattie, D. Godfrey, E. Narayanan and K. Yu, Drug Chem. Toxicol. 23 (2000), 243-258.
-
(2000)
Drug Chem. Toxicol.
, vol.23
, pp. 243-258
-
-
Fischer, J.1
Todd, P.2
Mattie, D.3
Godfrey, D.4
Narayanan, E.5
Yu, K.6
-
15
-
-
0003569570
-
-
Oxford, New York
-
R.G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules, Oxford, New York, 1989. L.J. Bartolotti and K. Fluchick, Reviews in Computational Chemistry, Vol. 7, K.B. Lipkowitz and D.B. Boyd, eds, VCH Publishers, New York, 1996, pp. 187-216.
-
(1989)
Density-Functional Theory of Atoms and Molecules
-
-
Parr, R.G.1
Yang, W.2
-
16
-
-
0001192473
-
-
K.B. Lipkowitz and D.B. Boyd, eds, VCH Publishers, New York
-
R.G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules, Oxford, New York, 1989. L.J. Bartolotti and K. Fluchick, Reviews in Computational Chemistry, Vol. 7, K.B. Lipkowitz and D.B. Boyd, eds, VCH Publishers, New York, 1996, pp. 187-216.
-
(1996)
Reviews in Computational Chemistry
, vol.7
, pp. 187-216
-
-
Bartolotti, L.J.1
Fluchick, K.2
-
19
-
-
36849115659
-
-
R. Ditchfield, W.J. Hehre and J.A. Pople, J. Chem. Phys. 54 (1971), 724-728. M.J. Frisch, J.A. Pople, R. Krishnam and J.S. Binkley, J. Chem. Phys. 80 (1984), 3265-3269.
-
(1971)
J. Chem. Phys.
, vol.54
, pp. 724-728
-
-
Ditchfield, R.1
Hehre, W.J.2
Pople, J.A.3
-
20
-
-
36549091139
-
-
R. Ditchfield, W.J. Hehre and J.A. Pople, J. Chem. Phys. 54 (1971), 724-728. M.J. Frisch, J.A. Pople, R. Krishnam and J.S. Binkley, J. Chem. Phys. 80 (1984), 3265-3269.
-
(1984)
J. Chem. Phys.
, vol.80
, pp. 3265-3269
-
-
Frisch, M.J.1
Pople, J.A.2
Krishnam, R.3
Binkley, J.S.4
-
21
-
-
40749094858
-
-
R. Ditchfield, Mol. Phys. 27 (1974), 789-807. F. London, J. Phys. Radium 8 (1937), 397-409.
-
(1974)
Mol. Phys.
, vol.27
, pp. 789-807
-
-
Ditchfield, R.1
-
22
-
-
40749094858
-
-
R. Ditchfield, Mol. Phys. 27 (1974), 789-807. F. London, J. Phys. Radium 8 (1937), 397-409.
-
(1937)
J. Phys. Radium
, vol.8
, pp. 397-409
-
-
London, F.1
-
23
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh, PA
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V Ortiz, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B.G. Johnson, W. Chen, M.W. Wong, J.L. Andres, M. Head-Gordon, E.S. Replogle and J.A. Pople, Gaussian 98, Gaussian, Inc., Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery, 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
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.G.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
24
-
-
0004150157
-
-
Bruker-AXS, Madison, Wisconsin
-
G. Sheldrick, SHELXTL, Bruker-AXS, Madison, Wisconsin, 2001.
-
(2001)
SHELXTL
-
-
Sheldrick, G.1
-
26
-
-
12844269462
-
-
(b) G. Lepicard, D. de Saint-Giniez, R. Jaquier and C. Rérat, C. R. Acad. Sci., C 267 (1968), 1786-1789.
-
(1968)
C. R. Acad. Sci., C
, vol.267
, pp. 1786-1789
-
-
Lepicard, G.1
De Saint-Giniez, D.2
Jaquier, R.3
Rérat, C.4
-
27
-
-
2742586234
-
-
(c) J.-L. Aubagnac, J. Elguero, B. Rérat, C. Rérat and Y. Uesu, C. R. Acad. Sci., C 274 (1972), 1192-1195.
-
(1972)
C. R. Acad. Sci., C
, vol.274
, pp. 1192-1195
-
-
Aubagnac, J.-L.1
Elguero, J.2
Rérat, B.3
Rérat, C.4
Uesu, Y.5
-
29
-
-
4644298605
-
-
(e) M.R. Caira, L.R. Nassimbeni, A.M. Stephen and T.G.D .van Schalkwyk, Acta Crystallogr. C C49 (1993), 26-30.
-
(1993)
Acta Crystallogr. C
, vol.C49
, pp. 26-30
-
-
Caira, M.R.1
Nassimbeni, L.R.2
Stephen, A.M.3
Van Schalkwyk, T.G.D.4
-
30
-
-
0242576820
-
-
(a) M.H. Holschbach, D. Sanz, R.M. Claramunt, L. Infantes, S. Motherwell, P.R. Raithby, M.L. Jimeno, D. Herrero, I. Alkorta, N. Jagerovic and J. Elguero, J. Org. Chem. 68 (2003), 8831-8837.
-
(2003)
J. Org. Chem.
, vol.68
, pp. 8831-8837
-
-
Holschbach, M.H.1
Sanz, D.2
Claramunt, R.M.3
Infantes, L.4
Motherwell, S.5
Raithby, P.R.6
Jimeno, M.L.7
Herrero, D.8
Alkorta, I.9
Jagerovic, N.10
Elguero, J.11
-
31
-
-
2342460501
-
-
(b) I. Alkorta, J. Elguero, N. Jagerovic, A. Fruchier and G.P.A. Yap, J. Heterocycl. Chem. 41 (2004), 285-289.
-
(2004)
J. Heterocycl. Chem.
, vol.41
, pp. 285-289
-
-
Alkorta, I.1
Elguero, J.2
Jagerovic, N.3
Fruchier, A.4
Yap, G.P.A.5
-
32
-
-
0742289944
-
-
(c) I. Alkorta, J. Elguero, N. Jagerovic, A. Fruchier and G.P.A. Yap, J. Mol. Struct. 689 (2004), 251-254.
-
(2004)
J. Mol. Struct.
, vol.689
, pp. 251-254
-
-
Alkorta, I.1
Elguero, J.2
Jagerovic, N.3
Fruchier, A.4
Yap, G.P.A.5
|