Publications
List of Scientific Publications
Total number of publications: 161
2003
Chemical structures from the analysis of domain‐averaged Fermi holes: Multiple metalmetal bonding in transition metal compounds
Journal of Computational Chemistry, 2003, 24, 15, 1829-1838
DOI: 10.1002/jcc.10322
Structure—property relationships and momentum space quantities: Hammett σ—constants
Molecular Physics, 2003, 101, 21, 3159-3162
DOI: 10.1080/00268970310001632499
Molecular Basis of LFER. Modeling of the Electronic Substituent Effect Using Fragment Quantum Self-Similarity Measures
Journal of Chemical Information and Computer Sciences, 2003, 43, 6, 2033-2038
DOI: 10.1021/ci020050i
Applications of inward matrix products and matrix wave functions to Hückel MO theory, Slater extended wave functions, spin extended functions, and Hartree method
International Journal of Quantum Chemistry, 2003, 91, 5, 607-617
DOI: 10.1002/qua.10464
Classification of reaction pathways via momentum–space and quantum molecular similarity measures
Chemical Physics Letters, 2003, 367, 1-2, 207-213
DOI: 10.1016/s0009-2614(02)01701-3
2002
Molecular Quantum Similarity-Based QSARs for Binding Affinities of Several Steroid Sets
Journal of Chemical Information and Computer Sciences, 2002, 42, 5, 1185-1193
DOI: 10.1021/ci0202842
Shell Partition and Metric Semispaces: Minkowski Norms, Root Scalar Products, Distances and Cosines of Arbitrary Order
Journal of Mathematical Chemistry, 2002, 32, 2, 201-223
Modeling Large Macromolecular Structures Using Promolecular Densities
Journal of Chemical Information and Computer Sciences, 2002, 42, 4, 847-852
DOI: 10.1021/ci010348t
Molecular Basis of Linear Free Energy Relationships. The Nature of Inductive Effect in Aliphatic Series
Journal of Chemical Information and Computer Sciences, 2002, 42, 3, 564-570
DOI: 10.1021/ci0100651
Using Molecular Quantum Similarity Measures under Stochastic Transformation To Describe Physical Properties of Molecular Systems
Journal of Chemical Information and Computer Sciences, 2002, 42, 2, 317-325
DOI: 10.1021/ci0103370
Algebraic relationships between conceptual DFT quantities and the electronegativity equalization hardness matrix
Chemical Physics Letters, 2002, 364, 3-4, 357-362
DOI: 10.1016/s0009-2614(02)01398-2
Use of promolecular ASA density functions as a general algorithm to obtain starting MO in SCF calculations
International Journal of Quantum Chemistry, 2002, 87, 2, 59-67
DOI: 10.1002/qua.10068
2001
Inward Matrix Product Algebra and Calculus as Tools to Construct Space–Time Frames of Arbitrary Dimensions
Journal of Mathematical Chemistry, 2001, 30, 2, 227-245
Application of promolecular asa densities to graphical representation of density functions of macromolecular systems
Journal of Molecular Graphics and Modelling, 2001, 19, 3-4, 343-348
DOI: 10.1016/s1093-3263(00)00083-8
Inward matrix products: extensions and applications to quantum mechanical foundations of QSAR
Journal of Molecular Structure: THEOCHEM, 2001, 537, 1-3, 41-54
DOI: 10.1016/s0166-1280(00)00661-8
Molecular Quantum Similarity Measures as Descriptors for Quantum QSAR
Polycyclic Aromatic Compounds, 2001, 19, 1-4, 51-71
DOI: 10.1080/10406630008034722
Antimalarial activity of synthetic 1,2,4-trioxanes and cyclic peroxy ketals, a quantum similarity study
Journal of Computer-Aided Molecular Design, 2001, 15, 12, 1053-1063
TGSA: A molecular superposition program based on topo-geometrical considerations
Journal of Computational Chemistry, 2001, 22, 2, 255-263
DOI: 10.1002/1096-987x(20010130)22:2<255::aid-jcc12>3.0.co;2-2
Erratum to “Icosahedral symmetry structures with open-shell electronic configuration h (N=1–9)”
Physics Letters A, 2001, 279, 1-2, 102-103
DOI: 10.1016/s0375-9601(00)00788-x
Structure-toxicity relationships of polycyclic aromatic hydrocarbons using molecular quantum similarity
Journal of Computer-Aided Molecular Design, 2001, 15, 1, 67-80