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Results: 1422

Ramon Carbó, Blanca Calabuig, Emili Besalú, Antoni Martínez
Triple density molecular quantum similarity measures: A general connection between theoretical calculations and experimental results
Mol Eng, 1992, 2, 43-64
DOI: 10.1007/BF00999522
Keywords: Molecular similarity

Anna Roglans, J. Marquet, M. Moreno-Mañas
Preparation of 3-Pyrrolidone and 4-Perhydroazepinone
Synthetic Communications, 1992, 22, 1249-1258
DOI: 10.1080/00397919208019306

Miquel Solà, Agusti Lledos, Miquel Duran, Juan Bertran
Proton transfer in the water dimer catalyzed by doubly charged cations (Zn+2, Be+2, and Mg+2)
Theoret. Chim. Acta, 1992, 81, 303-318
DOI: 10.1007/BF01118570

Marcial Moreno-Mañas, Anna Roglans, Joan F. Piniella, Angel Alvarez-Larena
Solid phase conformational analysis of a 13-membered heterocycle: 8,13-Dioxo-1,4,7-trioxacyclotridecane (diethylene glycol cyclic adipate)
Zeitschrift für Kristallographie, 1992, 202, 109-114
DOI: 10.1524/zkri.1992.202.1-2.109

Miquel Solà, Agusti Lledos, Miquel Duran, Juan Bertran
Anion binding and pentacoordination in zinc(II) complexes
Inorg. Chem., 1991, 30, 2523-2527
DOI: 10.1021/ic00011a013

Miquel Solà, Agusti Lledos, Miquel Duran, Juan Bertran
Analysis in terms of valence-bond structures of environmental effects on the electronic structure of molecules
Int. J. Quantum Chem., 1991, 40, 511-525
DOI: 10.1002/qua.560400407

Miquel Solà, Agusti Lledos, Miquel Duran, Juan Bertran, Jose Luis M. Abboud
Analysis of solvent effects on the Menshutkin reaction
J. Am. Chem. Soc., 1991, 113, 2873-2879
DOI: 10.1021/ja00008a013

Miquel Solà, Agusti Lledos, Miquel Duran, Juan Bertran, Oscar N. Ventura
Ab initio study of substituent effect on the addition of hydrogen fluoride to fluoroethylenes
J. Comput. Chem., 1990, 11, 170-180
DOI: 10.1002/jcc.540110203

Miquel Solà, Carlos Gonzalez, Glauco Tonachini, H. Bernhard Schlegel
Gradient optimization of polarization exponents inab initio MO calculations on H2SO ? HSOH and CH3SH ? CH2SH2
Theoret. Chim. Acta, 1990, 77, 281-287
DOI: 10.1007/BF01116551

Ramon Carbó, Blanca Calabuig
Advances in Quantum Chemistry
Adv Quantum Chem, 1989, 20, 375-441
DOI: 10.1016/S0065-3276(08)60630-9
Keywords: Molecular similarity

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