Results: 157
David Robert, Ramon Carbó-Dorca
A Formal Comparison between Molecular Quantum Similarity Measures and Indices
J. Chem. Inf. Comput. Sci., 1998, 38, 469-475
DOI: 10.1021/ci970105uOpenAccess: –Keywords: Molecular similarity
David Robert, Ramon Carbó-Dorca
Analyzing the Triple Density Molecular Quantum Similarity Measures with the INDSCAL Model
J. Chem. Inf. Comput. Sci., 1998, 38, 620-623
DOI: 10.1021/ci970121rOpenAccess: –Keywords: Molecular similarity
Lluís Amat, Ramon Carbó-Dorca, Robert Ponec
Molecular quantum similarity measures as an alternative to log P values in QSAR studies
J. Comput. Chem., 1998, 19, 1575-1583
DOI: 10.1002/(SICI)1096-987X(19981115)19:14<1575::AID-JCC3>3.0.CO;2-GOpenAccess: –Keywords: Molecular similarity
David Robert, Ramon Carbó-Dorca
On the extension of quantum similarity to atomic nuclei: Nuclear quantum similarity
J. Math. Chem., 1998, 23, 327-351
DOI: 10.1023/A:1019177426169OpenAccess: –Keywords: Molecular similarity
Ramon Carbó-Dorca
Tagged sets, convex sets and quantum similarity measures
J. Math. Chem., 1998, 23, 353-364
DOI: 10.1023/A:1019185627987OpenAccess: –Keywords: Molecular similarity
Ramon Carbó-Dorca
On the statistical interpretation of density functions: Atomic shell approximation, convex sets, discrete quantum chemical molecular representations, diagonal vector spaces and related problems
J. Math. Chem., 1998, 23, 365-375
DOI: 10.1023/A:1019189728895OpenAccess: –Keywords: Molecular similarity
X. Gironés, L. Amat, R. Carbó-Dorca
A comparative study of isodensity surfaces using ab initio and ASA density functions
J. Mol. Graph. Model., 1998, 16, 190-196
DOI: 10.1016/S1093-3263(99)00009-1OpenAccess: –Keywords: Molecular similarity
Xavier Gironés, Lluís Amat, Ramon Carbó-Dorca
A comparative study of isodensity surfaces using ab initio and ASA density functions
Journal of Molecular Graphics and Modelling, 1998, 16, 190-196
DOI: 10.1016/S1093-3263(98)80003-XOpenAccess: –Keywords: Molecular similarity
Ramon Carbó-Dorca, Emili Besalú
A general survey of molecular quantum similarity
Journal of Molecular Structure: THEOCHEM, 1998, 451, 11-23
DOI: 10.1016/S0166-1280(98)00155-9OpenAccess: –Keywords: Molecular similarity
Lluís Amat, Ramon Carbó-Dorca
Quantum similarity measures under atomic shell approximation: First order density fitting using elementary Jacobi rotations
J. Comput. Chem., 1997, 18, 2023-2039
DOI: 10.1002/(SICI)1096-987X(199712)18:16<2023::AID-JCC7>3.0.CO;2-NOpenAccess: –Keywords: Molecular similarity