화학공학소재연구정보센터
검색결과 : 13건
No. Article
1 Quasi-Chemical Theory with Cluster Sampling from Ab Initio Molecular Dynamics: Fluoride (F-) Anion Hydration
Muralidharan A, Pratt LR, Chaudhari MI, Rempe SB
Journal of Physical Chemistry A, 122(51), 9806, 2018
2 Molecular-Scale Description of SPAN80 Desorption from a Squalane-Water Interface
Tan L, Pratt LR, Chaudhari MI
Journal of Physical Chemistry B, 122(13), 3378, 2018
3 Role of Solute Attractive Forces in the Atomic-Scale Theory of Hydrophobic Effects
Gao A, Tan L, Chaudhari MI, Asthagiri D, Pratt LR, Rempe SB, Weeks JD
Journal of Physical Chemistry B, 122(23), 6272, 2018
4 Probing Translocation in Mutants of the Anthrax Channel: Atomically Detailed Simulations with Milestoning
Ma P, Cardenas AE, Chaudhari MI, Elber R, Rempe SB
Journal of Physical Chemistry B, 122(45), 10296, 2018
5 The Impact of Protonation on Early Translocation of Anthrax Lethal Factor: Kinetics from Molecular Dynamics Simulations and Milestoning Theory
Ma P, Cardenas AE, Chaudhari MI, Elber R, Rempe SB
Journal of the American Chemical Society, 139(42), 14837, 2017
6 Dielectric Relaxation of Ethylene Carbonate and Propylene Carbonate from Molecular Dynamics Simulations
You XL, Chaudhari MI, Rempe SB, Pratt LR
Journal of Physical Chemistry B, 120(8), 1849, 2016
7 Molecular Theory and the Effects of Solute Attractive Forces on Hydrophobic Interactions
Chaudhari MI, Rempe SB, Asthagiri D, Tan L, Pratt LR
Journal of Physical Chemistry B, 120(8), 1864, 2016
8 Statistical Analyses of Hydrophobic Interactions: A Mini-Review
Pratt LR, Chaudhari MI, Rempe SB
Journal of Physical Chemistry B, 120(27), 6455, 2016
9 Octa-Coordination and the Aqueous Ba2+ Ion
Chaudhari MI, Soniat ML, Rempe SB
Journal of Physical Chemistry B, 119(28), 8746, 2015
10 Loop-Closure and Gaussian Models of Collective Structural Characteristics of Capped PEO Oligomers in Water
Chaudhari MI, Pratt LR, Paulaitis ME
Journal of Physical Chemistry B, 119(29), 8863, 2015