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Results: 159

Ramon Carbó-Dorca, AnaGallegos Saliner
Notes on quantitative structure-properties relationships (QSPR) part 2: The role of the number of atoms as a molecular descriptor
J. Comput. Chem., 2009, 30, 2099-2104
DOI: 10.1002/jcc.21208
Keywords: Molecular similarity

LLUÍS AMAT, RAMON CARBÓ-DORCA, DAVIDL. COOPER, NEILL. ALLAN, ROBERT PONEC
Structure—property relationships and momentum space quantities: Hammett σ—constants
Molecular Physics, 2009, 101, 3159-3162
DOI: 10.1080/00268970310001632499
Keywords: Molecular similarity

Ramon Carbó-Dorca, Sofie Van Damme
A new insight on the quantum quantitative structure-properties relationships
Int. J. Quantum Chem., 2008, 108, 1721-1734
DOI: 10.1002/qua.21703
Keywords: Molecular similarity

Ramon Carbó-Dorca, Patrick Bultinck
Mathematical aspects of the LCAO MO first order density function (3): A general localization procedure
J Math Chem, 2008, 43, 1069-1075
DOI: 10.1007/s10910-007-9242-x
Keywords: Molecular similarity

Ramon Carbó-Dorca
Mathematical aspects of the LCAO MO first order density function (1): atomic partition, metric structure and practical applications
J Math Chem, 2008, 43, 1076-1101
DOI: 10.1007/s10910-007-9244-8
Keywords: Molecular similarity

Ramon Carbó-Dorca
Mathematical aspects of the LCAO MO first order density function (2): Relationships between density functions
J Math Chem, 2008, 43, 1102-1118
DOI: 10.1007/s10910-007-9245-7
Keywords: Molecular similarity

Ramon Carbó-Dorca
A quantum similarity matrix (QSM) Aufbau procedure
J Math Chem, 2008, 44, 228-234
DOI: 10.1007/s10910-007-9305-z
Keywords: Molecular similarity

Ramon Carbó-Dorca
Riemannian three dimensional molecular spaces
J Math Chem, 2008, 44, 286-300
DOI: 10.1007/s10910-007-9315-x
Keywords: Molecular similarity

Ramon Carbó-Dorca
Smooth function topological structure descriptors based on graph-spectra
J Math Chem, 2008, 44, 373-378
DOI: 10.1007/s10910-007-9314-y
Keywords: Molecular similarity

Ramon Carbó-Dorca
Diagonal coefficient representation of density functions and quantum similarity measures
J Math Chem, 2008, 44, 621-627
DOI: 10.1007/s10910-008-9441-0
Keywords: Molecular similarity

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