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Results: 1053

J. Ezquerra, B. Yruretagoyena, M. Moreno-Matas, A. Roglans
Improved Preparation of Diethyl Bromomethylphosphonate and Diiodomethane-Catalyzed Triethylphosphite Michaelis-Arbuzov Isomerization
Synthetic Communications, 1995, 25, 191-194
DOI: 10.1080/00397919508010806

Miquel Solà, José L. Andrés, Miquel Duran, Agustí Lledós, Juan Bertrán
Ab initio
Theor Chim Acta, 1995, 91, 333
DOI: 10.1007/s002140050107

Miquel Solà, Jordi Mestres, Josep Martí, Miquel Duran
An AM1 study of the reactivity of buckminsterfullerene (C60) in a Diels-Alder model reaction
Chemical Physics Letters, 1994, 231, 325-330
DOI: 10.1016/0009-2614(94)01249-0

Ramon Carbó, Emili Besalú
Definition, mathematical examples and quantum chemical applications of nested summation symbols and logical Kronecker deltas
Computers & Chemistry, 1994, 18, 117-126
DOI: 10.1016/0097-8485(94)85005-4

Miquel Solà, Jordi Mestres, Ramon Carbo, Miquel Duran
Use of ab Initio Quantum Molecular Similarities as an Interpretative Tool for the Study of Chemical Reactions
J. Am. Chem. Soc., 1994, 116, 5909-5915
DOI: 10.1021/ja00092a047

Miquel Solà, Jordi Mestres, Miquel Duran, Ramon Carbo
Ab Initio Quantum Molecular Similarity Measures on Metal-Substituted Carbonic Anhydrase (MIICA, M = Be, Mg, Mn, Co, Ni, Cu, Zn, and Cd)
J. Chem. Inf. Model., 1994, 34, 1047-1053
DOI: 10.1021/ci00021a003

Montserrat Ventura, Cristobal Segura, Miquel Solà
A quantum chemical AM1 study of a Diels?Alder and retro-Diels?Alder tandem reaction
J. Chem. Soc., Perkin Trans. 2, 1994, 0, 281-284
DOI: 10.1039/p29940000281

Jordi Mestres, Miquel Solà, Miquel Duran, Ramon Carbí
On the calculation ofab initio quantum molecular similarities for large systems: Fitting the electron density
J. Comput. Chem., 1994, 15, 1113-1120
DOI: 10.1002/jcc.540151007

Emili Besalí, Ramon Carbí
Generalized Rayleigh-Schrídinger perturbation theory in matrix form
J. Math. Chem., 1994, 15, 397-406
DOI: 10.1007/BF01277573

Ramon Carbí, Emili Besalí
Nested summation symbols and perturbation theory
J. Math. Chem., 1993, 13, 331-342
DOI: 10.1007/BF01165573

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