| Interpreting The Behavior Of The Nicszz By Resolving In Orbitals, Sign, And Positions | 0 | 0.34 | 2018 |
| Extending Hirshfeld-I To Bulk And Periodic Materials | 2 | 0.41 | 2013 |
| Bond Fukui indices: comparison of frozen molecular orbital and finite differences through Mulliken populations. | 0 | 0.34 | 2013 |
| Fast Density Matrix-Based Partitioning Of The Energy Over The Atoms In A Molecule Consistent With The Hirshfeld-I Partitioning Of The Electron Density | 1 | 0.48 | 2011 |
| Variational density matrix optimization using semidefinite programming | 0 | 0.34 | 2011 |
| A primal–dual semidefinite programming algorithm tailored to the variational determination of the two-body density matrix | 0 | 0.34 | 2011 |
| A self-consistent Hirshfeld method for the atom in the molecule based on minimization of information loss. | 5 | 0.99 | 2011 |
| Performance of 3D-space-based atoms-in-molecules methods for electronic delocalization aromaticity indices. | 2 | 0.64 | 2011 |
| Multidimensionality of delocalization indices and nucleus-independent chemical shifts in polycyclic aromatic hydrocarbons II: proof of further nonlocality. | 3 | 0.54 | 2010 |
| Conceptual DFT properties-based 3D QSAR: Analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme. | 2 | 0.40 | 2009 |
| Multidimensionality of delocalization indices and nucleus independent chemical shifts in polycyclic aromatic hydrocarbons. | 4 | 0.85 | 2008 |
| A new computer program for QSAR-analysis: ARTE-QSAR. | 5 | 0.84 | 2007 |
| Aromaticity in linear polyacenes: generalized population analysis and molecular quantum similarity approach. | 6 | 1.12 | 2007 |
| Toward an Alternative Hardness Kernel Matrix Structure in the Electronegativity Equalization Method (EEM). | 4 | 0.49 | 2006 |
| Coulomb and Overlap Self-Similarities: A Comparative Selectivity Analysis of Structure-Function Relationships for Auxin-like Molecules. | 0 | 0.34 | 2006 |
| Quantum Similarity Superposition Algorithm (QSSA): A Consistent Scheme for Molecular Alignment and Molecular Similarity Based on Quantum Chemistry. | 5 | 0.49 | 2003 |
| Fast Calculation of Quantum Chemical Molecular Descriptors from the Electronegativity Equalization Method. | 6 | 0.87 | 2003 |
| Molecular quantum similarity matrix based clustering of molecules using dendrograms. | 7 | 0.69 | 2003 |
| Quality of approximate electron densities and internal consistency of molecular alignment algorithms in molecular quantum similarity. | 5 | 0.49 | 2003 |
| Generate: a program for 3-D structure generation and conformational analysis of peptides and peptidomimetics. | 0 | 0.34 | 2002 |
