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The Journal of Chemical Physics
|
December 22, 2022
Parametrized quantum-mechanical approaches combined with the fragment molecular orbital method
Dmitri G Fedorov
Physical Chemistry Chemical Physics : PCCP
|
June 26, 2024
Partition analysis of dipole moments in solution applied to functional groups in polypeptide motifs
Dmitri G Fedorov
The Journal of Physical Chemistry. A
|
February 1, 2024
Analysis of Site Energies and Excitonic Couplings: The Role of Symmetry and Polarization
Dmitri G Fedorov
The Journal of Physical Chemistry. A
|
October 2, 2023
Site-Specific Ionization Potentials and Electron Affinities in Large Molecular Systems at Coupled Cluster Level
Dmitri G Fedorov
The Journal of Chemical Physics
|
October 9, 2025
Polarization and basis set superposition error in interaction energies in the fragment molecular orbital method
Dmitri G Fedorov
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 15, 2024
The Peptide Bond: Resonance Increases Bond Order and Complicates Fragmentation
Dmitri G Fedorov
Journal of Computational Chemistry
|
April 21, 2022
Polarization energies in the fragment molecular orbital method
Dmitri G Fedorov
Journal of Chemical Theory and Computation
|
August 29, 2019
Solvent Screening in Zwitterions Analyzed with the Fragment Molecular Orbital Method
Dmitri G Fedorov
The Journal of Physical Chemistry. A
|
December 12, 2024
Importance of Charge Balance for the Embedding of Zwitterionic Solutes in the Fragment Molecular Orbital Method
Dmitri G Fedorov
Methods in Molecular Biology (Clifton, N.J.)
|
February 5, 2020
Analyzing Interactions with the Fragment Molecular Orbital Method
Dmitri G Fedorov
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Search research articles
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Showing results (1-10 of 129) with videos related to
Sort By:
Page
of 13
The Journal of Chemical Physics
|
December 22, 2022
Parametrized quantum-mechanical approaches combined with the fragment molecular orbital method
Dmitri G Fedorov
Physical Chemistry Chemical Physics : PCCP
|
June 26, 2024
Partition analysis of dipole moments in solution applied to functional groups in polypeptide motifs
Dmitri G Fedorov
The Journal of Physical Chemistry. A
|
February 1, 2024
Analysis of Site Energies and Excitonic Couplings: The Role of Symmetry and Polarization
Dmitri G Fedorov
The Journal of Physical Chemistry. A
|
October 2, 2023
Site-Specific Ionization Potentials and Electron Affinities in Large Molecular Systems at Coupled Cluster Level
Dmitri G Fedorov
The Journal of Chemical Physics
|
October 9, 2025
Polarization and basis set superposition error in interaction energies in the fragment molecular orbital method
Dmitri G Fedorov
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 15, 2024
The Peptide Bond: Resonance Increases Bond Order and Complicates Fragmentation
Dmitri G Fedorov
Journal of Computational Chemistry
|
April 21, 2022
Polarization energies in the fragment molecular orbital method
Dmitri G Fedorov
Journal of Chemical Theory and Computation
|
August 29, 2019
Solvent Screening in Zwitterions Analyzed with the Fragment Molecular Orbital Method
Dmitri G Fedorov
The Journal of Physical Chemistry. A
|
December 12, 2024
Importance of Charge Balance for the Embedding of Zwitterionic Solutes in the Fragment Molecular Orbital Method
Dmitri G Fedorov
Methods in Molecular Biology (Clifton, N.J.)
|
February 5, 2020
Analyzing Interactions with the Fragment Molecular Orbital Method
Dmitri G Fedorov
Page
of 13