E-LIB Suche - Ergebnisse für: Wheeler, Ralph A.

1

Fixed-node diffusion Monte Carlo shows promise for modeling..:

Huber, Timothy B. ; Wheeler, Ralph A.
The Journal of Chemical Physics. 161 (2024) 3 - p. , 2024

Link: https://doi.org/10.1063/..

2

Corrigendum to "viewSq, a Visual Molecular Dynamics (VMD) m..:

Mackoy, Travis ; Kale, Bharat ; Papka, Michael E..
Computer Physics Communications. 276 (2022) - p. 108358 , 2022

Link: https://doi.org/10.1016/..

3

viewSq, a Visual Molecular Dynamics (VMD) module for calcul..:

Mackoy, Travis ; Kale, Bharat ; Papka, Michael E..
Computer Physics Communications. 264 (2021) - p. 107881 , 2021

Link: https://doi.org/10.1016/..

4

Structure factor lineshape model gives approximate nanoscal..:

Wheeler, Ralph A. ; Dalbey, Emily E.
Physical Chemistry Chemical Physics. 23 (2021) 15 - p. 9061-9064 , 2021

Link: https://doi.org/10.1039/..

5

Temperature Dependence of Static Structure Factor Peak Inte..:

Mackoy, Travis ; Mauro, Nicholas A. ; Wheeler, Ralph A.
The Journal of Physical Chemistry B. 123 (2019) 7 - p. 1672-1678 , 2019

Link: https://doi.org/10.1021/..

6

Inside Cover: Distinguishing the Protonation State of the H..:

Koval, Ashlyn M. ; Jagger, Benjamin R. ; Wheeler, Ralph A.
ChemPhysChem. 18 (2017) 1 - p. 2-2 , 2017

Link: https://doi.org/10.1002/..

7

Back Cover: Distinguishing Protonation States of Histidine ..:

Jagger, Benjamin R. ; Koval, Ashlyn M. ; Wheeler, Ralph A.
ChemPhysChem. 17 (2016) 2 - p. 327-327 , 2016

Link: https://doi.org/10.1002/..

8

Distinguishing the Protonation State of the Histidine Ligan..:

Koval, Ashlyn M. ; Jagger, Benjamin R. ; Wheeler, Ralph A.
ChemPhysChem. 18 (2016) 1 - p. 39-41 , 2016

Link: https://doi.org/10.1002/..

9

Distinguishing Protonation States of Histidine Ligands to t..:

Jagger, Benjamin R. ; Koval, Ashlyn M. ; Wheeler, Ralph A.
ChemPhysChem. 17 (2015) 2 - p. 216-220 , 2015

Link: https://doi.org/10.1002/..

10

Harmonic vibrational frequencies: Scale factors for pure, h..:

Laury, Marie L. ; Boesch, Scott E. ; Haken, Ian...
Journal of Computational Chemistry. 32 (2011) 11 - p. 2339-2347 , 2011

Link: https://doi.org/10.1002/..

11

Isotropic 13C Hyperfine Coupling Constants Distinguish Neut..:

Boesch, Scott E. ; Wheeler, Ralph A.
ChemPhysChem. 10 (2009) 18 - p. 3187-3189 , 2009

Link: https://doi.org/10.1002/..

12

Pressure Annealing as a Complement to Temperature Annealing..:

Hixson, Christopher Adam ; Wheeler, Ralph A.
Journal of Chemical Theory and Computation. 5 (2009) 7 - p. 1883-1894 , 2009

Link: https://doi.org/10.1021/..

13

Vibrational Spectroscopy of Secondary Amine Salts: 1. Assig..:

Giffin, Guinevere A. ; Boesch, Scott ; Bopege, Dharshani N....
The Journal of Physical Chemistry B. 113 (2009) 49 - p. 15914-15920 , 2009

Link: https://doi.org/10.1021/..

14

The Vibrational Spectrum of the Secondary Electron Acceptor..:

Bender, Shana L. ; Keough, James M. ; Boesch, Scott E...
The Journal of Physical Chemistry B. 112 (2008) 12 - p. 3844-3852 , 2008

Link: https://doi.org/10.1021/..

15

Flexible protein–flexible ligand docking with disrupted vel..:

Huang, Zunnan ; Wong, Chung F. ; Wheeler, Ralph A.
Proteins: Structure, Function, and Bioinformatics. 71 (2007) 1 - p. 440-454 , 2007

Link: https://doi.org/10.1002/..