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Anatoliy Volkov

Showing results (1-10 of 30) with videos related to

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Journal of Computational Chemistry|March 18, 2004
Calculation of electrostatic interaction energies in molecular dimers from atomic multipole moments obtained by different methods of electron density partitioningAnatoliy Volkov, Philip Coppens
Acta Crystallographica. Section A, Foundations and Advances|May 2, 2019
Fast analytical evaluation of intermolecular electrostatic interaction energies using the pseudoatom representation of the electron density. II. The Fourier transform methodDaniel Nguyen, Anatoliy Volkov
Acta Crystallographica. Section A, Foundations of Crystallography|October 13, 2004
The interplay between experiment and theory in charge-density analysisPhilip Coppens, Anatoliy Volkov
Acta Crystallographica. Section A, Foundations and Advances|March 3, 2015
Density- and wavefunction-normalized Cartesian spherical harmonics for l ≤ 20J Robert Michael, Anatoliy Volkov
Acta Crystallographica. Section A, Foundations and Advances|September 2, 2021
On the calculation of the electrostatic potential, electric field and electric field gradient from the aspherical pseudoatom model. II. Evaluation of the properties in an infinite crystalJessie Weatherly, Piero Macchi, Anatoliy Volkov
Acta Crystallographica. Section D, Biological Crystallography|January 24, 2007
Improving the scattering-factor formalism in protein refinement: application of the University at Buffalo Aspherical-Atom Databank to polypeptide structuresAnatoliy Volkov, Marc Messerschmidt, Philip Coppens
Acta Crystallographica. Section A, Foundations of Crystallography|August 23, 2002
Aspherical-atom scattering factors from molecular wave functions. 1. Transferability and conformation dependence of atomic electron densities of peptides within the multipole formalismTibor Koritsanszky, Anatoliy Volkov, Philip Coppens
Acta Crystallographica. Section A, Foundations and Advances|October 30, 2020
Fast analytical evaluation of intermolecular electrostatic interaction energies using the pseudoatom representation of the electron density. III. Application to crystal structures via the Ewald and direct summation methodsDaniel Nguyen, Piero Macchi, Anatoliy Volkov
Acta Crystallographica. Section A, Foundations and Advances|September 6, 2018
Fast analytical evaluation of intermolecular electrostatic interaction energies using the pseudoatom representation of the electron density. I. The Löwdin α-function methodDaniel Nguyen, Zbigniew Kisiel, Anatoliy Volkov
Acta Crystallographica. Section A, Foundations and Advances|April 24, 2026
Relativistic Dirac-Hartree-Fock X-ray scattering factors. III. Chemically relevant atomic anions for Z = 1-85Hampton Copeland, Yoshihiro Watanabe, Anatoliy Volkov
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Showing results (1-10 of 30) with videos related to

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Pageof 3
Journal of Computational Chemistry|March 18, 2004
Calculation of electrostatic interaction energies in molecular dimers from atomic multipole moments obtained by different methods of electron density partitioningAnatoliy Volkov, Philip Coppens
Acta Crystallographica. Section A, Foundations and Advances|May 2, 2019
Fast analytical evaluation of intermolecular electrostatic interaction energies using the pseudoatom representation of the electron density. II. The Fourier transform methodDaniel Nguyen, Anatoliy Volkov
Acta Crystallographica. Section A, Foundations of Crystallography|October 13, 2004
The interplay between experiment and theory in charge-density analysisPhilip Coppens, Anatoliy Volkov
Acta Crystallographica. Section A, Foundations and Advances|March 3, 2015
Density- and wavefunction-normalized Cartesian spherical harmonics for l ≤ 20J Robert Michael, Anatoliy Volkov
Acta Crystallographica. Section A, Foundations and Advances|September 2, 2021
On the calculation of the electrostatic potential, electric field and electric field gradient from the aspherical pseudoatom model. II. Evaluation of the properties in an infinite crystalJessie Weatherly, Piero Macchi, Anatoliy Volkov
Acta Crystallographica. Section D, Biological Crystallography|January 24, 2007
Improving the scattering-factor formalism in protein refinement: application of the University at Buffalo Aspherical-Atom Databank to polypeptide structuresAnatoliy Volkov, Marc Messerschmidt, Philip Coppens
Acta Crystallographica. Section A, Foundations of Crystallography|August 23, 2002
Aspherical-atom scattering factors from molecular wave functions. 1. Transferability and conformation dependence of atomic electron densities of peptides within the multipole formalismTibor Koritsanszky, Anatoliy Volkov, Philip Coppens
Acta Crystallographica. Section A, Foundations and Advances|October 30, 2020
Fast analytical evaluation of intermolecular electrostatic interaction energies using the pseudoatom representation of the electron density. III. Application to crystal structures via the Ewald and direct summation methodsDaniel Nguyen, Piero Macchi, Anatoliy Volkov
Acta Crystallographica. Section A, Foundations and Advances|September 6, 2018
Fast analytical evaluation of intermolecular electrostatic interaction energies using the pseudoatom representation of the electron density. I. The Löwdin α-function methodDaniel Nguyen, Zbigniew Kisiel, Anatoliy Volkov
Acta Crystallographica. Section A, Foundations and Advances|April 24, 2026
Relativistic Dirac-Hartree-Fock X-ray scattering factors. III. Chemically relevant atomic anions for Z = 1-85Hampton Copeland, Yoshihiro Watanabe, Anatoliy Volkov
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