Results: 149
Mohit Chawla, Albert Poater, Pau Besalú-Sala, Kanav Kalra, Romina Oliva, Luigi Cavallo
Theoretical characterization of sulfur-to-selenium substitution in an emissive RNA alphabet: impact on H-bonding potential and photophysical properties
Phys. Chem. Chem. Phys., 2018, 20, 7676-7685
DOI: 10.1039/C7CP07656HKeywords: Aromaticity, Chemical bonding, Computational chemistry, Density Functional Theory, Molecular similarity
Andrey A. Toropov, Ramon Carbó-Dorca, Alla P. Toropova
Index of Ideality of Correlation: new possibilities to validate QSAR: a case study
Struct Chem, 2018, 29, 33-38
DOI: 10.1007/s11224-017-0997-9Keywords: Molecular similarity
Ramon Carbó-Dorca
Quantum polyhedra, definitions, statistics and the construction of a collective quantum similarity index
J Math Chem, 2015, 53, 171-182
DOI: 10.1007/s10910-014-0419-9Keywords: Molecular similarity
Ramon Carbó-Dorca
Coulomb repulsion, point-like nuclear charges, Dirac paradox, soft nuclear charge density and hypermultiplet nuclear repulsion
J. Math. Chem., 2015, 53, 590-603
DOI: 10.1007/s10910-014-0436-8Keywords: Molecular similarity
Ramon Carbó-Dorca, Emili Besalú
EMP as a similarity measure: a geometric point of view
J Math Chem, 2013, 51, 382-389
DOI: 10.1007/s10910-012-0089-4Keywords: Molecular similarity
Ramon Carbó-Dorca, Emili Besalú
Function extended spaces
J Math Chem, 2013, 51, 660-671
DOI: 10.1007/s10910-012-0110-yKeywords: Molecular similarity
Ramon Carbó-Dorca, Luz Dary Mercado
Density gradient quantum similarity
AIP Conf Proc, 2012, 1504, 716
DOI: 10.1063/1.4771795Keywords: Molecular similarity
Ramon Carbó-Dorca, Emili Besalú
Centroid origin shift of quantum object sets and molecular point clouds description and element comparisons
J Math Chem, 2012, 50, 1161-1178
DOI: 10.1007/s10910-011-9960-yKeywords: Molecular similarity
Ramon Carbó-Dorca, Emili Besalú
Shells, point cloud huts, generalized scalar products, cosines and similarity tensor representations in vector semispaces
J Math Chem, 2012, 50, 210-219
DOI: 10.1007/s10910-011-9906-4Keywords: Molecular similarity
Ramon Carbó-Dorca, Emili Besalú
On the nature of atomic shell approximation (ASA) electrostatic molecular potentials (EMP)
J Math Chem, 2012, 50, 981-988
DOI: 10.1007/s10910-011-9945-xKeywords: Molecular similarity