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The Journal of Physical Chemistry. B
|
January 24, 2019
Temperature Dependence of Static Structure Factor Peak Intensities for a Pyrrolidinium-Based Ionic Liquid
Travis Mackoy, Nicholas A Mauro, Ralph A Wheeler
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 6, 2003
Quasiharmonic vibrations of water, water dimer, and liquid water from principal component analysis of quantum or QM/MM trajectories
Ralph A Wheeler, Haitao Dong, Scott E Boesch
Proteins
|
October 25, 2007
Flexible protein-flexible ligand docking with disrupted velocity simulated annealing
Zunnan Huang, Chung F Wong, Ralph A Wheeler
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 22, 2016
Distinguishing the Protonation State of the Histidine Ligand to the Oxidized Iron-Sulfur Cluster from the MitoNEET Family of Proteins
Ashlyn M Koval, Benjamin R Jagger, Ralph A Wheeler
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 26, 2015
Distinguishing Protonation States of Histidine Ligands to the Oxidized Rieske Iron-Sulfur Cluster through (15) N Vibrational Frequency Shifts
Benjamin R Jagger, Ashlyn M Koval, Ralph A Wheeler
Physical Chemistry Chemical Physics : PCCP
|
June 24, 2025
Effect of anion size on the size of polar aggregates in imidazolium-based ionic liquids
Emily E Dalbey, Johnathon J Sailor, Ralph A Wheeler
Journal of Molecular Graphics & Modelling
|
April 22, 2004
New perspectives on multiple-copy, mean-field molecular dynamics methods
Christopher Adam Hixson, Jermont Chen, Zunnan Huang, et al.
The Journal of Physical Chemistry. B
|
March 1, 2008
The vibrational spectrum of the secondary electron acceptor, A1, in photosystem I
Shana L Bender, James M Keough, Scott E Boesch, et al.
Journal of Computational Chemistry
|
May 21, 2011
Harmonic vibrational frequencies: scale factors for pure, hybrid, hybrid meta, and double-hybrid functionals in conjunction with correlation consistent basis sets
Marie L Laury, Scott E Boesch, Ian Haken, et al.
The Journal of Physical Chemistry. B
|
November 13, 2009
Vibrational spectroscopy of secondary amine salts: 1. Assignment of NH(2)(+) stretching frequencies in crystalline phases
Guinevere A Giffin, Scott Boesch, Dharshani N Bopege, et al.
Page
of 3
Search research articles
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Showing results (11-20 of 21) with videos related to
Sort By:
Page
of 3
The Journal of Physical Chemistry. B
|
January 24, 2019
Temperature Dependence of Static Structure Factor Peak Intensities for a Pyrrolidinium-Based Ionic Liquid
Travis Mackoy, Nicholas A Mauro, Ralph A Wheeler
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 6, 2003
Quasiharmonic vibrations of water, water dimer, and liquid water from principal component analysis of quantum or QM/MM trajectories
Ralph A Wheeler, Haitao Dong, Scott E Boesch
Proteins
|
October 25, 2007
Flexible protein-flexible ligand docking with disrupted velocity simulated annealing
Zunnan Huang, Chung F Wong, Ralph A Wheeler
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 22, 2016
Distinguishing the Protonation State of the Histidine Ligand to the Oxidized Iron-Sulfur Cluster from the MitoNEET Family of Proteins
Ashlyn M Koval, Benjamin R Jagger, Ralph A Wheeler
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 26, 2015
Distinguishing Protonation States of Histidine Ligands to the Oxidized Rieske Iron-Sulfur Cluster through (15) N Vibrational Frequency Shifts
Benjamin R Jagger, Ashlyn M Koval, Ralph A Wheeler
Physical Chemistry Chemical Physics : PCCP
|
June 24, 2025
Effect of anion size on the size of polar aggregates in imidazolium-based ionic liquids
Emily E Dalbey, Johnathon J Sailor, Ralph A Wheeler
Journal of Molecular Graphics & Modelling
|
April 22, 2004
New perspectives on multiple-copy, mean-field molecular dynamics methods
Christopher Adam Hixson, Jermont Chen, Zunnan Huang, et al.
The Journal of Physical Chemistry. B
|
March 1, 2008
The vibrational spectrum of the secondary electron acceptor, A1, in photosystem I
Shana L Bender, James M Keough, Scott E Boesch, et al.
Journal of Computational Chemistry
|
May 21, 2011
Harmonic vibrational frequencies: scale factors for pure, hybrid, hybrid meta, and double-hybrid functionals in conjunction with correlation consistent basis sets
Marie L Laury, Scott E Boesch, Ian Haken, et al.
The Journal of Physical Chemistry. B
|
November 13, 2009
Vibrational spectroscopy of secondary amine salts: 1. Assignment of NH(2)(+) stretching frequencies in crystalline phases
Guinevere A Giffin, Scott Boesch, Dharshani N Bopege, et al.
Page
of 3