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Results: 157

Patrick Bultinck, Robert Ponec, Ramon Carbó-Dorca
Aromaticity in linear polyacenes: Generalized population analysis and molecular quantum similarity approach
J. Comput. Chem., 2007, 28, 152-160
DOI: 10.1002/jcc.20491
Keywords: Molecular similarity

Patrick Bultinck, Ramon Carbó-Dorca
Comment on “Chemoselectives in Acetalization, Thioacetalization, Oxathioacetalization and Azathioacetalization”
J. Phys. Chem. A, 2007, 111, 2640-2640
DOI: 10.1021/jp067333o
Keywords: Molecular similarity

Noel Ferro, Patrick Bultinck, Ana Gallegos, Hans-Jörg Jacobsen, Ramon Carbo-Dorca, Thomas Reinard
Unrevealed structural requirements for auxin-like molecules by theoretical and experimental evidences
Phytochemistry, 2007, 68, 237-250
DOI: 10.1016/j.phytochem.2006.10.006
Keywords: Molecular similarity

Ramon Carbó-Dorca
About the prediction of molecular properties using the fundamental Quantum QSPR (QQSPR) equation†
SAR and QSAR in Environmental Research, 2007, 18, 265-284
DOI: 10.1080/10629360701304113
Keywords: Molecular similarity

Patrick Bultinck, Stijn Fias, Christian Van Alsenoy, PaulW. Ayers, Ramon Carbó-Dorca
Critical thoughts on computing atom condensed Fukui functions
The Journal of Chemical Physics, 2007, 127, 034102-
DOI: 10.1063/1.2749518
Keywords: Molecular similarity

Patrick Bultinck, Christian Van Alsenoy, PaulW. Ayers, Ramon Carbó-Dorca
Critical analysis and extension of the Hirshfeld atoms in molecules
The Journal of Chemical Physics, 2007, 126, 144111-
DOI: 10.1063/1.2715563
Keywords: Molecular similarity

Ramon Carbó-Dorca, Sofie Van Damme
Solutions to the Quantum QSPR problem in molecular spaces
Theor Chem Account, 2007, 118, 673-679
DOI: 10.1007/s00214-007-0352-0
Keywords: Molecular similarity

Ramon Carbó-Dorca
A Discussion on the Einstein–Podolski–Rosen (EPR) Effect* in a Unique Wavefunction Quantum Mechanical Framewor
J Math Chem, 2006, 39, 267-279
DOI: 10.1007/s10910-005-9031-3
Keywords: Molecular similarity

Ramon Carbó-Dorca, Emili Besalú
Generation of Molecular Fields, Quantum Similarity Measures and Related Questions
J Math Chem, 2006, 39, 495-510
DOI: 10.1007/s10910-005-9046-9
Keywords: Molecular similarity

Ramon Carbó-Dorca
Descriptors and Probability Distributions in MO Theory: Weighted Mulliken Matrices and Molecular Quantum Similarity Measures
J Math Chem, 2006, 39, 551-591
DOI: 10.1007/s10910-005-9049-6
Keywords: Molecular similarity

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