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The Journal of Physical Chemistry Letters
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August 18, 2015
Aqueous Cation-Amide Binding: Free Energies and IR Spectral Signatures by Ab Initio Molecular Dynamics
Eva Pluhařová, Marcel D Baer, Christopher J Mundy, et al.
The Journal of Physical Chemistry. B
|
June 3, 2025
STEPs-SOL, a Peptoid Force Field Parameterization to Include Solvent Effects
Yasmene W Elhady, Bradley S Harris, Christopher J Mundy, et al.
Chemical Science
|
October 10, 2017
Real single ion solvation free energies with quantum mechanical simulation
Timothy T Duignan, Marcel D Baer, Gregory K Schenter, et al.
The Journal of Physical Chemistry. B
|
December 11, 2013
Ab initio molecular dynamics simulation of proton hopping in a model polymer membrane
Ram Devanathan, Nagesh Idupulapati, Marcel D Baer, et al.
Accounts of Chemical Research
|
June 17, 2021
Toward a First-Principles Framework for Predicting Collective Properties of Electrolytes
Timothy T Duignan, Shawn M Kathmann, Gregory K Schenter, et al.
Journal of Chemical Theory and Computation
|
June 27, 2020
Method for Accurately Predicting Solvation Structure
Timothy T Duignan, Christopher J Mundy, Gregory K Schenter, et al.
The Journal of Physical Chemistry. A
|
March 5, 2011
Semiempirical self-consistent polarization description of bulk water, the liquid-vapor interface, and cubic ice
Garold Murdachaew, Christopher J Mundy, Gregory K Schenter, et al.
Physical Review Letters
|
August 11, 2005
Bonding in the superionic phase of water
Nir Goldman, Laurence E Fried, I-Feng W Kuo, et al.
The Journal of Chemical Physics
|
March 29, 2013
Thermodynamics of iodide adsorption at the instantaneous air-water interface
Abraham C Stern, Marcel D Baer, Christopher J Mundy, et al.
The Journal of Physical Chemistry. B
|
April 26, 2014
Toward a unified picture of the water self-ions at the air-water interface: a density functional theory perspective
Marcel D Baer, I-Feng W Kuo, Douglas J Tobias, et al.
Page
of 11
Search research articles
Search
Showing results (21-30 of 105) with videos related to
Sort By:
Page
of 11
The Journal of Physical Chemistry Letters
|
August 18, 2015
Aqueous Cation-Amide Binding: Free Energies and IR Spectral Signatures by Ab Initio Molecular Dynamics
Eva Pluhařová, Marcel D Baer, Christopher J Mundy, et al.
The Journal of Physical Chemistry. B
|
June 3, 2025
STEPs-SOL, a Peptoid Force Field Parameterization to Include Solvent Effects
Yasmene W Elhady, Bradley S Harris, Christopher J Mundy, et al.
Chemical Science
|
October 10, 2017
Real single ion solvation free energies with quantum mechanical simulation
Timothy T Duignan, Marcel D Baer, Gregory K Schenter, et al.
The Journal of Physical Chemistry. B
|
December 11, 2013
Ab initio molecular dynamics simulation of proton hopping in a model polymer membrane
Ram Devanathan, Nagesh Idupulapati, Marcel D Baer, et al.
Accounts of Chemical Research
|
June 17, 2021
Toward a First-Principles Framework for Predicting Collective Properties of Electrolytes
Timothy T Duignan, Shawn M Kathmann, Gregory K Schenter, et al.
Journal of Chemical Theory and Computation
|
June 27, 2020
Method for Accurately Predicting Solvation Structure
Timothy T Duignan, Christopher J Mundy, Gregory K Schenter, et al.
The Journal of Physical Chemistry. A
|
March 5, 2011
Semiempirical self-consistent polarization description of bulk water, the liquid-vapor interface, and cubic ice
Garold Murdachaew, Christopher J Mundy, Gregory K Schenter, et al.
Physical Review Letters
|
August 11, 2005
Bonding in the superionic phase of water
Nir Goldman, Laurence E Fried, I-Feng W Kuo, et al.
The Journal of Chemical Physics
|
March 29, 2013
Thermodynamics of iodide adsorption at the instantaneous air-water interface
Abraham C Stern, Marcel D Baer, Christopher J Mundy, et al.
The Journal of Physical Chemistry. B
|
April 26, 2014
Toward a unified picture of the water self-ions at the air-water interface: a density functional theory perspective
Marcel D Baer, I-Feng W Kuo, Douglas J Tobias, et al.
Page
of 11