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Results: 1158

Miquel Solà, Montserrat Ventura, Cristobal Segura, Miquel Duran
AM1 study of a substituent transfer by means of a Diels?Alder and retro-Diels?Alder tandem reaction
J. Chem. Soc., Perkin Trans. 2, 1995, 0, 605-608
DOI: 10.1039/p29950000605

F. Matthias Bickelhaupt, Miquel Solà, Paul von Raguí Schleyer
Theoretical investigation of the relative stabilities ofXSSX andX2SS isomers (X = F, Cl, H, and CH3)
J. Comput. Chem., 1995, 16, 465-477
DOI: 10.1002/jcc.540160410

R. Carbí, E. Besalí, Ll. Amat, X. Fradera
Quantum molecular similarity measures (QMSM) as a natural way leading towards a theoretical foundation of quantitative structure-properties relationships (QSPR)
J. Math. Chem., 1995, 18, 237-246
DOI: 10.1007/BF01164661

Ramon Carbí, Emili Besalí
Definition and quantum chemical applications of nested summation symbols and logical functions: Pedagogical artificial intelligence devices for formulae writing, sequential programming and automatic parallel implementation
J. Math. Chem., 1995, 18, 37-72
DOI: 10.1007/BF01166602

Miquel Solà, Jordi Mestres, Miquel Duran
Molecular Size and Pyramidalization: Two Keys for Understanding the Reactivity of Fullerenes
J. Phys. Chem., 1995, 99, 10752-10758
DOI: 10.1021/j100027a013

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

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