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The Journal of Physical Chemistry. A
|
June 29, 2011
Theoretical study of 1,2-hydride shift associated with the isomerization of glyceraldehyde to dihydroxy acetone by Lewis acid active site models
Rajeev S Assary, Larry A Curtiss
Bioprocess and Biosystems Engineering
|
November 10, 2010
Computational screening of novel thiamine-catalyzed decarboxylation reactions of 2-keto acids
Rajeev S Assary, Linda J Broadbelt
The Journal of Physical Chemistry. A
|
June 6, 2014
Investigation of thermochemistry associated with the carbon-carbon coupling reactions of furan and furfural using ab initio methods
Cong Liu, Rajeev S Assary, Larry A Curtiss
The Journal of Physical Chemistry. A
|
August 28, 2014
Investigation of the redox chemistry of anthraquinone derivatives using density functional theory
Jonathan E Bachman, Larry A Curtiss, Rajeev S Assary
Chemical Science
|
September 7, 2019
Accurate quantum chemical energies for 133 000 organic molecules
Badri Narayanan, Paul C Redfern, Rajeev S Assary, et al.
The Journal of Physical Chemistry. B
|
March 30, 2011
Mechanistic insights into the decomposition of fructose to hydroxy methyl furfural in neutral and acidic environments using high-level quantum chemical methods
Rajeev S Assary, Paul C Redfern, Jeffrey Greeley, et al.
Dalton Transactions (Cambridge, England : 2003)
|
August 13, 2011
The mechanism of the reduction of [AnO2]2+ (An = U, Np, Pu) in aqueous solution, and by Fe(II) containing proteins and mineral surfaces, probed by DFT calculations
Mahesh Sundararajan, Rajeev S Assary, Ian H Hillier, et al.
The Journal of Physical Chemistry. A
|
February 4, 2026
Dynamic Electronic Coupling in the Self-Exchange Charge Transfer Reaction of Benzothiadiazole Redoxmer in Acetonitrile Calculated with Constrained Density Functional Theory
Jason Howard, Garvit Agarwal, John Low, et al.
Journal of Chemical Information and Modeling
|
June 16, 2011
A computational approach to design and evaluate enzymatic reaction pathways: application to 1-butanol production from pyruvate
Di Wu, Qin Wang, Rajeev S Assary, et al.
Energy & Environmental Science
|
July 19, 2014
Acid-Catalyzed Conversion of Furfuryl Alcohol to Ethyl Levulinate in Liquid Ethanol
Gretchen M González Maldonado, Rajeev S Assary, James Dumesic, et al.
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of 5
Search research articles
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Showing results (1-10 of 49) with videos related to
Sort By:
Page
of 5
The Journal of Physical Chemistry. A
|
June 29, 2011
Theoretical study of 1,2-hydride shift associated with the isomerization of glyceraldehyde to dihydroxy acetone by Lewis acid active site models
Rajeev S Assary, Larry A Curtiss
Bioprocess and Biosystems Engineering
|
November 10, 2010
Computational screening of novel thiamine-catalyzed decarboxylation reactions of 2-keto acids
Rajeev S Assary, Linda J Broadbelt
The Journal of Physical Chemistry. A
|
June 6, 2014
Investigation of thermochemistry associated with the carbon-carbon coupling reactions of furan and furfural using ab initio methods
Cong Liu, Rajeev S Assary, Larry A Curtiss
The Journal of Physical Chemistry. A
|
August 28, 2014
Investigation of the redox chemistry of anthraquinone derivatives using density functional theory
Jonathan E Bachman, Larry A Curtiss, Rajeev S Assary
Chemical Science
|
September 7, 2019
Accurate quantum chemical energies for 133 000 organic molecules
Badri Narayanan, Paul C Redfern, Rajeev S Assary, et al.
The Journal of Physical Chemistry. B
|
March 30, 2011
Mechanistic insights into the decomposition of fructose to hydroxy methyl furfural in neutral and acidic environments using high-level quantum chemical methods
Rajeev S Assary, Paul C Redfern, Jeffrey Greeley, et al.
Dalton Transactions (Cambridge, England : 2003)
|
August 13, 2011
The mechanism of the reduction of [AnO2]2+ (An = U, Np, Pu) in aqueous solution, and by Fe(II) containing proteins and mineral surfaces, probed by DFT calculations
Mahesh Sundararajan, Rajeev S Assary, Ian H Hillier, et al.
The Journal of Physical Chemistry. A
|
February 4, 2026
Dynamic Electronic Coupling in the Self-Exchange Charge Transfer Reaction of Benzothiadiazole Redoxmer in Acetonitrile Calculated with Constrained Density Functional Theory
Jason Howard, Garvit Agarwal, John Low, et al.
Journal of Chemical Information and Modeling
|
June 16, 2011
A computational approach to design and evaluate enzymatic reaction pathways: application to 1-butanol production from pyruvate
Di Wu, Qin Wang, Rajeev S Assary, et al.
Energy & Environmental Science
|
July 19, 2014
Acid-Catalyzed Conversion of Furfuryl Alcohol to Ethyl Levulinate in Liquid Ethanol
Gretchen M González Maldonado, Rajeev S Assary, James Dumesic, et al.
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of 5