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Rami Gherib

Showing results (1-10 of 7) with videos related to

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The Journal of Physical Chemistry. B|June 30, 2012
An active site water broadens substrate specificity in S-ribosylhomocysteinase (LuxS): a docking, MD, and QM/MM studyWenJuan Huang, Rami Gherib, James W Gauld
Journal of Chemical Theory and Computation|November 18, 2015
Why Do Mixed Quantum-Classical Methods Describe Short-Time Dynamics through Conical Intersections So Well? Analysis of Geometric Phase EffectsRami Gherib, Ilya G Ryabinkin, Artur F Izmaylov
The Journal of Physical Chemistry. A|June 8, 2022
On the Importance of Well-Defined Thermal Correlation Functions in Simulating Vibronic SpectraRami Gherib, Scott N Genin, Ilya G Ryabinkin
International Journal of Molecular Sciences|January 4, 2014
Multi-scale computational enzymology: enhancing our understanding of enzymatic catalysisRami Gherib, Hisham M Dokainish, James W Gauld
The Journal of Physical Chemistry. A|October 11, 2024
Thawed Gaussian Wavepacket Dynamics with Δ-Machine-Learned PotentialsRami Gherib, Ilya G Ryabinkin, Scott N Genin
The Journal of Physical Chemistry. B|May 17, 2013
Insights into the catalytic mechanism of coral allene oxide synthase: a dispersion corrected density functional theory studyEric A C Bushnell, Rami Gherib, James W Gauld
The Journal of Chemical Physics|July 9, 2016
On the inclusion of the diagonal Born-Oppenheimer correction in surface hopping methodsRami Gherib, Liyuan Ye, Ilya G Ryabinkin, et al.
Pageof 1

Showing results (1-10 of 7) with videos related to

Sort By:
Pageof 1
The Journal of Physical Chemistry. B|June 30, 2012
An active site water broadens substrate specificity in S-ribosylhomocysteinase (LuxS): a docking, MD, and QM/MM studyWenJuan Huang, Rami Gherib, James W Gauld
Journal of Chemical Theory and Computation|November 18, 2015
Why Do Mixed Quantum-Classical Methods Describe Short-Time Dynamics through Conical Intersections So Well? Analysis of Geometric Phase EffectsRami Gherib, Ilya G Ryabinkin, Artur F Izmaylov
The Journal of Physical Chemistry. A|June 8, 2022
On the Importance of Well-Defined Thermal Correlation Functions in Simulating Vibronic SpectraRami Gherib, Scott N Genin, Ilya G Ryabinkin
International Journal of Molecular Sciences|January 4, 2014
Multi-scale computational enzymology: enhancing our understanding of enzymatic catalysisRami Gherib, Hisham M Dokainish, James W Gauld
The Journal of Physical Chemistry. A|October 11, 2024
Thawed Gaussian Wavepacket Dynamics with Δ-Machine-Learned PotentialsRami Gherib, Ilya G Ryabinkin, Scott N Genin
The Journal of Physical Chemistry. B|May 17, 2013
Insights into the catalytic mechanism of coral allene oxide synthase: a dispersion corrected density functional theory studyEric A C Bushnell, Rami Gherib, James W Gauld
The Journal of Chemical Physics|July 9, 2016
On the inclusion of the diagonal Born-Oppenheimer correction in surface hopping methodsRami Gherib, Liyuan Ye, Ilya G Ryabinkin, et al.
Pageof 1