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The Journal of Physical Chemistry. B
|
November 26, 2009
Interfacial behavior of perchlorate versus chloride ions in aqueous solutions
Marcel D Baer, I-Feng William Kuo, Hendrik Bluhm, et al.
Journal of Chemical Theory and Computation
|
July 18, 2017
Marcus Theory of Ion-Pairing
Santanu Roy, Marcel D Baer, Christopher J Mundy, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Infrared Spectroscopy of Fluxional Molecules from (ab Initio) Molecular Dynamics: Resolving Large-Amplitude Motion, Multiple Conformations, and Permutational Symmetries
Gerald Mathias, Sergei D Ivanov, Alexander Witt, et al.
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.
The Journal of Chemical Physics
|
November 4, 2017
Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions
Timothy T Duignan, Marcel D Baer, Gregory K Schenter, 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.
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.
The Journal of Physical Chemistry. B
|
October 27, 2015
Dependence of the Rate of LiF Ion-Pairing on the Description of Molecular Interaction
Eva Pluhařová, Marcel D Baer, Gregory K Schenter, et al.
Page
of 6
Search research articles
Search
Showing results (11-20 of 53) with videos related to
Sort By:
Page
of 6
The Journal of Physical Chemistry. B
|
November 26, 2009
Interfacial behavior of perchlorate versus chloride ions in aqueous solutions
Marcel D Baer, I-Feng William Kuo, Hendrik Bluhm, et al.
Journal of Chemical Theory and Computation
|
July 18, 2017
Marcus Theory of Ion-Pairing
Santanu Roy, Marcel D Baer, Christopher J Mundy, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Infrared Spectroscopy of Fluxional Molecules from (ab Initio) Molecular Dynamics: Resolving Large-Amplitude Motion, Multiple Conformations, and Permutational Symmetries
Gerald Mathias, Sergei D Ivanov, Alexander Witt, et al.
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.
The Journal of Chemical Physics
|
November 4, 2017
Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions
Timothy T Duignan, Marcel D Baer, Gregory K Schenter, 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.
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.
The Journal of Physical Chemistry. B
|
October 27, 2015
Dependence of the Rate of LiF Ion-Pairing on the Description of Molecular Interaction
Eva Pluhařová, Marcel D Baer, Gregory K Schenter, et al.
Page
of 6