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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
Bulletin of Environmental Contamination and Toxicology
|
April 17, 2016
Adsorption of Emerging Munitions Contaminants on Cellulose Surface: A Combined Theoretical and Experimental Investigation
Manoj K Shukla, Aimee Poda
The Journal of Physical Chemistry. A
|
June 30, 2012
Computational elucidation of mechanisms of alkaline hydrolysis of nitrocellulose: dimer and trimer models with comparison to the corresponding monomer
Manoj K Shukla, Frances Hill
Journal of Computational Chemistry
|
August 16, 2014
Plane-wave density functional theory investigation of adsorption of 2,4,6-trinitrotoluene on Al-hydroxylated (0001) surface of (4 × 4) α-alumina
Manoj K Shukla, Frances Hill
The Journal of Physical Chemistry. A
|
May 1, 2012
Can an α-anomer of the trinitro form of D-glucopyranose be more easily hydrolyzed in alkaline environment than the β-anomer? A detailed theoretical analysis
Manoj K Shukla, Frances Hill
Langmuir : the ACS Journal of Surfaces and Colloids
|
December 22, 2021
Effect of Concrete Composition on the Thermodynamic Binding of Dopamine: A DFT Study
Glen R Jenness, Manoj K Shukla
The Journal of Physical Chemistry. A
|
December 14, 2020
Computational Investigation on Interactions between Some Munition Compounds and Humic Substances
Timothy C Schutt, Manoj K Shukla
The Journal of Physical Chemistry. A
|
May 10, 2019
Predicting the Impact of Aqueous Ions on Fate and Transport of Munition Compounds in the Environment
Timothy C Schutt, Manoj K Shukla
ACS Nano
|
February 12, 2009
Theoretical investigation of electronic structures and properties of C60-gold nanocontacts
Manoj K Shukla, Madan Dubey, Jerzy Leszczynski
Journal of Molecular Modeling
|
August 18, 2014
Computational investigation of interaction of polypyrrole on the surface of single-walled carbon nanotube
Manoj K Shukla, Veera Boddu, Frances Hill
Page
of 6
Search research articles
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Showing results (1-10 of 54) with videos related to
Sort By:
Page
of 6
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
Bulletin of Environmental Contamination and Toxicology
|
April 17, 2016
Adsorption of Emerging Munitions Contaminants on Cellulose Surface: A Combined Theoretical and Experimental Investigation
Manoj K Shukla, Aimee Poda
The Journal of Physical Chemistry. A
|
June 30, 2012
Computational elucidation of mechanisms of alkaline hydrolysis of nitrocellulose: dimer and trimer models with comparison to the corresponding monomer
Manoj K Shukla, Frances Hill
Journal of Computational Chemistry
|
August 16, 2014
Plane-wave density functional theory investigation of adsorption of 2,4,6-trinitrotoluene on Al-hydroxylated (0001) surface of (4 × 4) α-alumina
Manoj K Shukla, Frances Hill
The Journal of Physical Chemistry. A
|
May 1, 2012
Can an α-anomer of the trinitro form of D-glucopyranose be more easily hydrolyzed in alkaline environment than the β-anomer? A detailed theoretical analysis
Manoj K Shukla, Frances Hill
Langmuir : the ACS Journal of Surfaces and Colloids
|
December 22, 2021
Effect of Concrete Composition on the Thermodynamic Binding of Dopamine: A DFT Study
Glen R Jenness, Manoj K Shukla
The Journal of Physical Chemistry. A
|
December 14, 2020
Computational Investigation on Interactions between Some Munition Compounds and Humic Substances
Timothy C Schutt, Manoj K Shukla
The Journal of Physical Chemistry. A
|
May 10, 2019
Predicting the Impact of Aqueous Ions on Fate and Transport of Munition Compounds in the Environment
Timothy C Schutt, Manoj K Shukla
ACS Nano
|
February 12, 2009
Theoretical investigation of electronic structures and properties of C60-gold nanocontacts
Manoj K Shukla, Madan Dubey, Jerzy Leszczynski
Journal of Molecular Modeling
|
August 18, 2014
Computational investigation of interaction of polypyrrole on the surface of single-walled carbon nanotube
Manoj K Shukla, Veera Boddu, Frances Hill
Page
of 6