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Journal of Chemical Theory and Computation
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December 3, 2015
Path Integral Simulations of Proton Transfer Reactions in Aqueous Solution Using Combined QM/MM Potentials
Dan Thomas Major, Mireia Garcia-Viloca, Jiali Gao
The Journal of Physical Chemistry. B
|
December 29, 2022
Origin of Catalysis by Nitroalkane Oxidase
Dan Thomas Major, Prashant Kumar Gupta, Jiali Gao
Rehabilitation Nursing : the Official Journal of the Association of Rehabilitation Nurses
|
March 31, 2015
Validation of Fall Risk Assessment Specific to the Inpatient Rehabilitation Facility Setting
Dan Thomas, Andrea Pavic, Erin Bisaccia, et al.
Biochemistry
|
May 23, 2013
Quantum and classical simulations of orotidine monophosphate decarboxylase: support for a direct decarboxylation mechanism
Alexandra Vardi-Kilshtain, Dvir Doron, Dan Thomas Major
Journal of Chemical Theory and Computation
|
May 27, 2014
How Accurate Are Transition States from Simulations of Enzymatic Reactions?
Dvir Doron, Amnon Kohen, Kwangho Nam, et al.
The Journal of Organic Chemistry
|
July 4, 2014
Phenyl-imidazolo-cytidine analogues: structure-photophysical activity relationship and ability to detect single DNA mismatch
Marina Kovaliov, Michal Weitman, Dan Thomas Major, et al.
Chemistryopen
|
December 12, 2017
Shaping Polyyne Rods by Using an Electric Field
Esther Rozental, Eli Altus, Dan Thomas Major, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Putting DFT to the test: a first-principles study of electronic, magnetic, and optical properties of Co3O4
Vijay Singh, Monica Kosa, Koushik Majhi, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Path-Integral Calculations of Nuclear Quantum Effects in Model Systems, Small Molecules, and Enzymes via Gradient-Based Forward Corrector Algorithms
Asaf Azuri, Hamutal Engel, Dvir Doron, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Momentum Distribution as a Fingerprint of Quantum Delocalization in Enzymatic Reactions: Open-Chain Path-Integral Simulations of Model Systems and the Hydride Transfer in Dihydrofolate Reductase
Hamutal Engel, Dvir Doron, Amnon Kohen, et al.
Page
of 8
Search research articles
Search
Showing results (21-30 of 77) with videos related to
Sort By:
Page
of 8
Journal of Chemical Theory and Computation
|
December 3, 2015
Path Integral Simulations of Proton Transfer Reactions in Aqueous Solution Using Combined QM/MM Potentials
Dan Thomas Major, Mireia Garcia-Viloca, Jiali Gao
The Journal of Physical Chemistry. B
|
December 29, 2022
Origin of Catalysis by Nitroalkane Oxidase
Dan Thomas Major, Prashant Kumar Gupta, Jiali Gao
Rehabilitation Nursing : the Official Journal of the Association of Rehabilitation Nurses
|
March 31, 2015
Validation of Fall Risk Assessment Specific to the Inpatient Rehabilitation Facility Setting
Dan Thomas, Andrea Pavic, Erin Bisaccia, et al.
Biochemistry
|
May 23, 2013
Quantum and classical simulations of orotidine monophosphate decarboxylase: support for a direct decarboxylation mechanism
Alexandra Vardi-Kilshtain, Dvir Doron, Dan Thomas Major
Journal of Chemical Theory and Computation
|
May 27, 2014
How Accurate Are Transition States from Simulations of Enzymatic Reactions?
Dvir Doron, Amnon Kohen, Kwangho Nam, et al.
The Journal of Organic Chemistry
|
July 4, 2014
Phenyl-imidazolo-cytidine analogues: structure-photophysical activity relationship and ability to detect single DNA mismatch
Marina Kovaliov, Michal Weitman, Dan Thomas Major, et al.
Chemistryopen
|
December 12, 2017
Shaping Polyyne Rods by Using an Electric Field
Esther Rozental, Eli Altus, Dan Thomas Major, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Putting DFT to the test: a first-principles study of electronic, magnetic, and optical properties of Co3O4
Vijay Singh, Monica Kosa, Koushik Majhi, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Path-Integral Calculations of Nuclear Quantum Effects in Model Systems, Small Molecules, and Enzymes via Gradient-Based Forward Corrector Algorithms
Asaf Azuri, Hamutal Engel, Dvir Doron, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Momentum Distribution as a Fingerprint of Quantum Delocalization in Enzymatic Reactions: Open-Chain Path-Integral Simulations of Model Systems and the Hydride Transfer in Dihydrofolate Reductase
Hamutal Engel, Dvir Doron, Amnon Kohen, et al.
Page
of 8