Anatoliy Volkov

Theoretical Analysis of the Triplet Excited State of the [Pt₂(H₂P₂O₅)₄]⁴^- Ion and Comparison with Time-Resolved X-ray and Spectroscopic Results

Irina Novozhilova, Anatoliy Volkov, Philip Coppens · Journal of the American Chemical Society · 2003 · 178 citations

Engineering, Full Understanding, Computational Chemistry +16

Evaluation of net atomic charges and atomic and molecular electrostatic moments through topological analysis of the experimental charge density

Anatoliy Volkov, Carlo Gatti, Yuriy A. Abramov et al. · Acta Crystallographica Section A Foundations of Crystallography · 2000 · 175 citations

Experimental Charge Density, Engineering, Computational Chemistry +19

<i>Ab Initio</i>Quality Electrostatic Atomic and Molecular Properties Including Intermolecular Energies from a Transferable Theoretical Pseudoatom Databank

Anatoliy Volkov, Xue Li, T. Koritsánszky et al. · The Journal of Physical Chemistry A · 2004 · 174 citations

Engineering, Computational Chemistry, Chemistry +18

On the origin of topological differences between experimental and theoretical crystal charge densities

Anatoliy Volkov, Yuriy A. Abramov, Philip Coppens et al. · Acta Crystallographica Section A Foundations of Crystallography · 2000 · 164 citations

A Theoretical Databank of Transferable Aspherical Atoms and Its Application to Electrostatic Interaction Energy Calculations of Macromolecules

P.M. Dominiak, Anatoliy Volkov, Xue Li et al. · Journal of Chemical Theory and Computation · 2006 · 145 citations

Ii Peptides, Engineering, Protein Assembly +21