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Journal of Molecular Modeling
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February 18, 2017
Can Fe<sup>3+</sup> and Al<sup>3+</sup> ions serve as cationic bridges to facilitate the adsorption of anionic As(V) species on humic acids? A density functional theory study
Leonid Gorb, Manoj K Shukla
The Journal of Physical Chemistry. A
|
July 13, 2006
Rare tautomer hypothesis supported by theoretical studies: ab initio investigations of prototropic tautomerism in the N-methyl-p base
Yevgeniy Podolyan, Leonid Gorb, Jerzy Leszczynski
The Journal of Physical Chemistry. A
|
November 19, 2024
Role of Hydroxyl Radical in the Degradation of ATO: DFT Study
Liudmyla Sviatenko, Leonid Gorb, Jerzy Leszczynski
Journal of Computational Chemistry
|
March 7, 2007
Theoretical calculations: can Gibbs free energy for intermolecular complexes be predicted efficiently and accurately?
Olexandr Isayev, Leonid Gorb, Jerzy Leszczynski
Journal of Molecular Modeling
|
June 27, 2020
A density functional theory study of simplest nanocomposites formed by graphene oxide and polyvinyl alcohol: geometry, interaction energy and vibrational spectrum
Leonid Gorb, Mykola Ilchenko, Jerzy Leszczynski
Environmental Science and Pollution Research International
|
May 11, 2022
Decomposition of 2,4,6-trinitrotoluene (TNT) and 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one (NTO) by Fe<sub>13</sub>O<sub>13</sub> nanoparticle: density functional theory study
Leonid Gorb, Mykola Ilchenko, Jerzy Leszczynski
Journal of Biomolecular Structure & Dynamics
|
December 14, 2004
Charges of phosphate groups. A role in stabilization of 2'-deoxyribonucleotides. A DFT investigation
Leonid Gorb, Oleg Shishkin, Jerzy Leszczynski
BBA Advances
|
April 21, 2023
The structure of DNA fragments: Quantum-chemical modelling
Leonid Gorb, Oleg V Shishkin, Tetiana Zubatiuk
Physical Chemistry Chemical Physics : PCCP
|
December 12, 2023
Degradation of NTO induced by superoxide and hydroperoxyl radicals: a comprehensive DFT study
Liudmyla K Sviatenko, Leonid Gorb, Jerzy Leszczynski
The Journal of Physical Chemistry. A
|
October 5, 2023
Role of Hydroxyl Radical in Degradation of NTO: DFT Study
Liudmyla K Sviatenko, Leonid Gorb, Jerzy Leszczynski
Page
of 9
Search research articles
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Showing results (1-10 of 89) with videos related to
Sort By:
Page
of 9
Journal of Molecular Modeling
|
February 18, 2017
Can Fe<sup>3+</sup> and Al<sup>3+</sup> ions serve as cationic bridges to facilitate the adsorption of anionic As(V) species on humic acids? A density functional theory study
Leonid Gorb, Manoj K Shukla
The Journal of Physical Chemistry. A
|
July 13, 2006
Rare tautomer hypothesis supported by theoretical studies: ab initio investigations of prototropic tautomerism in the N-methyl-p base
Yevgeniy Podolyan, Leonid Gorb, Jerzy Leszczynski
The Journal of Physical Chemistry. A
|
November 19, 2024
Role of Hydroxyl Radical in the Degradation of ATO: DFT Study
Liudmyla Sviatenko, Leonid Gorb, Jerzy Leszczynski
Journal of Computational Chemistry
|
March 7, 2007
Theoretical calculations: can Gibbs free energy for intermolecular complexes be predicted efficiently and accurately?
Olexandr Isayev, Leonid Gorb, Jerzy Leszczynski
Journal of Molecular Modeling
|
June 27, 2020
A density functional theory study of simplest nanocomposites formed by graphene oxide and polyvinyl alcohol: geometry, interaction energy and vibrational spectrum
Leonid Gorb, Mykola Ilchenko, Jerzy Leszczynski
Environmental Science and Pollution Research International
|
May 11, 2022
Decomposition of 2,4,6-trinitrotoluene (TNT) and 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one (NTO) by Fe<sub>13</sub>O<sub>13</sub> nanoparticle: density functional theory study
Leonid Gorb, Mykola Ilchenko, Jerzy Leszczynski
Journal of Biomolecular Structure & Dynamics
|
December 14, 2004
Charges of phosphate groups. A role in stabilization of 2'-deoxyribonucleotides. A DFT investigation
Leonid Gorb, Oleg Shishkin, Jerzy Leszczynski
BBA Advances
|
April 21, 2023
The structure of DNA fragments: Quantum-chemical modelling
Leonid Gorb, Oleg V Shishkin, Tetiana Zubatiuk
Physical Chemistry Chemical Physics : PCCP
|
December 12, 2023
Degradation of NTO induced by superoxide and hydroperoxyl radicals: a comprehensive DFT study
Liudmyla K Sviatenko, Leonid Gorb, Jerzy Leszczynski
The Journal of Physical Chemistry. A
|
October 5, 2023
Role of Hydroxyl Radical in Degradation of NTO: DFT Study
Liudmyla K Sviatenko, Leonid Gorb, Jerzy Leszczynski
Page
of 9