Publications
List of Scientific Publications
Total number of publications: 161
2012
On the nature of atomic shell approximation (ASA) electrostatic molecular potentials (EMP)
Journal of Mathematical Chemistry, 2012, 50, 4, 981-988
DOI: 10.1007/s10910-011-9945-x
Shells, point cloud huts, generalized scalar products, cosines and similarity tensor representations in vector semispaces
Journal of Mathematical Chemistry, 2012, 50, 1, 210-219
DOI: 10.1007/s10910-011-9906-4
Density gradient quantum similarity
AIP Conference Proceedings, 2012, 716-720
DOI: 10.1063/1.4771795
2011
Quantum similarity and discrete representation of molecular sets
Journal of Mathematical Chemistry, 2011, 49, 8, 1558-1572
DOI: 10.1007/s10910-011-9841-4
Logical Kronecker delta deconstruction of the absolute value function and the treatment of absolute deviations
Journal of Mathematical Chemistry, 2011, 49, 3, 619-624
DOI: 10.1007/s10910-010-9781-4
Quantum similarity, volume functions and generalized Carbó indices
Journal of Mathematical Chemistry, 2011, 49, 9, 2109-2115
DOI: 10.1007/s10910-011-9878-4
The relationship between the eigenvalues and eigenvectors of a similarity matrix and its associated Carbó index matrix
Journal of Mathematical Chemistry, 2011, 49, 1, 6-11
DOI: 10.1007/s10910-010-9737-8
The Fukui matrix: a simple approach to the analysis of the Fukui function and its positive character
Physical Chemistry Chemical Physics, 2011, 13, 13, 6110
DOI: 10.1039/c0cp02268c
2010
Commentaries on quantum similarity (1): Density gradient quantum similarity
Journal of Computational Chemistry, 2010, 31, 11, 2195-2212
DOI: 10.1002/jcc.21510
LCAO MO first order density functions: Partition in monocentric and bicentric terms, reciprocal MO spaces, invariant transformations and Euclidian atomic populations
Journal of Molecular Structure: THEOCHEM, 2010, 943, 1-3, 32-41
DOI: 10.1016/j.theochem.2009.09.025
Definition of norm coherent generalized scalar products and quantum similarity
Journal of Mathematical Chemistry, 2010, 47, 1, 331-344
DOI: 10.1007/s10910-009-9572-y
A monodimensional scientific performance measure: the h index, can be substituted by simple multidimensional descriptors?
Journal of Mathematical Chemistry, 2010, 47, 1, 548-550
DOI: 10.1007/s10910-009-9573-x
2009
Notes on quantitative structure‐properties relationships (QSPR) (1): A discussion on a QSPR dimensionality paradox (QSPR DP) and its quantum resolution
Journal of Computational Chemistry, 2009, 30, 7, 1146-1159
DOI: 10.1002/jcc.21145
Notes on quantitative structure‐properties relationships (QSPR) part 2: The role of the number of atoms as a molecular descriptor
Journal of Computational Chemistry, 2009, 30, 13, 2099-2104
DOI: 10.1002/jcc.21208
2008
Smooth function topological structure descriptors based on graph-spectra
Journal of Mathematical Chemistry, 2008, 44, 2, 373-378
DOI: 10.1007/s10910-007-9314-y
A quantum similarity matrix (QSM) Aufbau procedure
Journal of Mathematical Chemistry, 2008, 44, 1, 228-234
DOI: 10.1007/s10910-007-9305-z
Riemannian three dimensional molecular spaces
Journal of Mathematical Chemistry, 2008, 44, 1, 286-300
DOI: 10.1007/s10910-007-9315-x
Mathematical aspects of the LCAO MO first order density function (2): Relationships between density functions
Journal of Mathematical Chemistry, 2008, 43, 3, 1102-1118
DOI: 10.1007/s10910-007-9245-7
Mathematical aspects of the LCAO MO first order density function (1): atomic partition, metric structure and practical applications
Journal of Mathematical Chemistry, 2008, 43, 3, 1076-1101
DOI: 10.1007/s10910-007-9244-8
Mathematical aspects of the LCAO MO first order density function (3): A general localization procedure
Journal of Mathematical Chemistry, 2008, 43, 3, 1069-1075
DOI: 10.1007/s10910-007-9242-x