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Journal of Computational Chemistry
|
March 5, 2015
Are the reduction and oxidation properties of nitrocompounds dissolved in water different from those produced when adsorbed on a silica surface? A DFT M05-2X computational study
Liudmyla K Sviatenko, Olexandr Isayev, Leonid Gorb, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 22, 2011
Novel view on the mechanism of water-assisted proton transfer in the DNA bases: bulk water hydration
Al'ona Furmanchuk, Olexandr Isayev, Leonid Gorb, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 5, 2011
Aromaticity in heterocyclic analogues of benzene: comprehensive analysis of structural aspects, electron delocalization and magnetic characteristics
Irina V Omelchenko, Oleg V Shishkin, Leonid Gorb, et al.
Journal of Biomolecular Structure & Dynamics
|
May 15, 2003
Molecular structure and properties of protonated and methylated derivatives of cytosine
Gareth Forde, Leonid Gorb, Oleg Shiskin, et al.
Chemosphere
|
April 26, 2015
Alkaline hydrolysis of hexahydro-1,3,5-trinitro-1,3,5-triazine: M06-2X investigation
Liudmyla K Sviatenko, Leonid Gorb, Frances C Hill, et al.
Journal of Molecular Modeling
|
December 4, 2019
A density functional theory investigation of degradation of Nitroguanidine in the photoactivated triplet state
Liudmyla K Sviatenko, Leonid Gorb, Jerzy Leszczynski, et al.
The Journal of Physical Chemistry. B
|
April 9, 2009
Ab initio kinetic simulation of gas-phase experiments: tautomerization of cytosine and guanine
Dmytro Kosenkov, Yana Kholod, Leonid Gorb, et al.
The Journal of Physical Chemistry. A
|
August 8, 2019
Role of Singlet Oxygen in the Degradation of Selected Insensitive Munitions Compounds: A Comprehensive, Quantum Chemical Investigation
Liudmyla K Sviatenko, Leonid Gorb, Danuta Leszczynska, et al.
Chemosphere
|
January 28, 2016
Adsorption of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) on a soil organic matter. A DFT M05 computational study
Liudmyla K Sviatenko, Leonid Gorb, Manoj K Shukla, et al.
Journal of Computer-Aided Molecular Design
|
April 4, 2008
The effects of characteristics of substituents on toxicity of the nitroaromatics: HiT QSAR study
Victor E Kuz'min, Eugene N Muratov, Anatoly G Artemenko, et al.
Page
of 9
Search research articles
Search
Showing results (61-70 of 89) with videos related to
Sort By:
Page
of 9
Journal of Computational Chemistry
|
March 5, 2015
Are the reduction and oxidation properties of nitrocompounds dissolved in water different from those produced when adsorbed on a silica surface? A DFT M05-2X computational study
Liudmyla K Sviatenko, Olexandr Isayev, Leonid Gorb, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 22, 2011
Novel view on the mechanism of water-assisted proton transfer in the DNA bases: bulk water hydration
Al'ona Furmanchuk, Olexandr Isayev, Leonid Gorb, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 5, 2011
Aromaticity in heterocyclic analogues of benzene: comprehensive analysis of structural aspects, electron delocalization and magnetic characteristics
Irina V Omelchenko, Oleg V Shishkin, Leonid Gorb, et al.
Journal of Biomolecular Structure & Dynamics
|
May 15, 2003
Molecular structure and properties of protonated and methylated derivatives of cytosine
Gareth Forde, Leonid Gorb, Oleg Shiskin, et al.
Chemosphere
|
April 26, 2015
Alkaline hydrolysis of hexahydro-1,3,5-trinitro-1,3,5-triazine: M06-2X investigation
Liudmyla K Sviatenko, Leonid Gorb, Frances C Hill, et al.
Journal of Molecular Modeling
|
December 4, 2019
A density functional theory investigation of degradation of Nitroguanidine in the photoactivated triplet state
Liudmyla K Sviatenko, Leonid Gorb, Jerzy Leszczynski, et al.
The Journal of Physical Chemistry. B
|
April 9, 2009
Ab initio kinetic simulation of gas-phase experiments: tautomerization of cytosine and guanine
Dmytro Kosenkov, Yana Kholod, Leonid Gorb, et al.
The Journal of Physical Chemistry. A
|
August 8, 2019
Role of Singlet Oxygen in the Degradation of Selected Insensitive Munitions Compounds: A Comprehensive, Quantum Chemical Investigation
Liudmyla K Sviatenko, Leonid Gorb, Danuta Leszczynska, et al.
Chemosphere
|
January 28, 2016
Adsorption of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) on a soil organic matter. A DFT M05 computational study
Liudmyla K Sviatenko, Leonid Gorb, Manoj K Shukla, et al.
Journal of Computer-Aided Molecular Design
|
April 4, 2008
The effects of characteristics of substituents on toxicity of the nitroaromatics: HiT QSAR study
Victor E Kuz'min, Eugene N Muratov, Anatoly G Artemenko, et al.
Page
of 9