Results: 173
Xavier Gironés, Ana Gallegos, Ramon Carbó-Dorca
Modeling Antimalarial Activity: Application of Kinetic Energy Density Quantum Similarity Measures as Descriptors in QSAR
J. Chem. Inf. Comput. Sci., 2000, 40, 1400-1407
DOI: 10.1021/ci0004558Keywords: Molecular similarity
David Robert, Xavier Gironés, Ramon Carbó-Dorca
Quantification of the Influence of Single-Point Mutations on Haloalkane Dehalogenase Activity: A Molecular Quantum Similarity Study
J. Chem. Inf. Comput. Sci., 2000, 40, 839-846
DOI: 10.1021/ci9903408Keywords: Molecular similarity
Xavier Gironés, Lluís Amat, David Robert, Ramon Carbó-Dorca
Use of electron-electron repulsion energy as a molecular descriptor in QSAR and QSPR studies
J. Comput. AID Mol. Des., 2000, 4, 477-485
DOI: 10.1023/A:1008136520396Keywords: Molecular similarity
Ramon Carbó-Dorca
A discussion on an apparent MO theory paradox
J. Math. Chem., 2000, 27, 35
DOI: 10.1023/A:1019123020177Keywords: Molecular similarity
Ramon Carbó-Dorca
Quantum QSAR and the eigensystems of stochastic quantum similarity matrices
J. Math. Chem., 2000, 27, 357-376
DOI: 10.1023/A:1018832008106Keywords: Molecular similarity
Albert Bach, Lluis Amat, Emili Besalú, Ramon Carbó-Dorca, Robert Ponec
Quantum chemistry, Sobolev spaces and SCF
J. Math. Chem., 2000, 28, 59-70
DOI: 10.1023/A:1018892326762Keywords: Molecular similarity
K. D. Sen, R. Carbo-Dorca
Inward matrix products, generalised density functions and Rayleigh–Schrödinger perturbation theory
Journal of Molecular Structure: THEOCHEM, 2000, 501-502, 173-176
DOI: 10.1016/S0166-1280(99)00426-1Keywords: Molecular similarity
Boris N. Plakhutin, Ramon Carbó-Dorca
Icosahedral symmetry structures with open-shell electronic configuration hN (N=1–9).
Physics Letters A, 2000, 267, 370-378
DOI: 10.1016/S0375-9601(00)00142-0Keywords: Molecular similarity
Robert Ponec, Ramon Carbó-Dorca
Chemical bonds from the condition of minimal pair fluctuation: Correlated case
Int. J. Quantum Chem., 1999, 72, 85-91
DOI: 10.1002/(SICI)1097-461X(1999)72:2<85::AID-QUA1>3.0.CO;2-YKeywords: Molecular similarity
David Robert, Lluís Amat, Ramon Carbó-Dorca
Three-Dimensional Quantitative Structure−Activity Relationships from Tuned Molecular Quantum Similarity Measures: Prediction of the Corticosteroid-Binding Globulin Binding Affinity for a Steroid Family
J. Chem. Inf. Comput. Sci., 1999, 39, 333-344
DOI: 10.1021/ci980410vKeywords: Molecular similarity