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Mangesh Chaudhari
Mangesh Chaudhari
Correu electrònic verificat a sandia.gov
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Scaling atomic partial charges of carbonate solvents for lithium ion solvation and diffusion
MI Chaudhari, JR Nair, LR Pratt, FA Soto, PB Balbuena, SB Rempe
Journal of chemical theory and computation 12 (12), 5709-5718, 2016
952016
Dielectric relaxation of ethylene carbonate and propylene carbonate from molecular dynamics simulations
X You, MI Chaudhari, SB Rempe, LR Pratt
The Journal of Physical Chemistry B 120 (8), 1849-1853, 2016
582016
Molecular dynamics of lithium ion transport in a model solid electrolyte interphase
A Muralidharan, MI Chaudhari, LR Pratt, SB Rempe
Scientific reports 8 (1), 10736, 2018
572018
Octa-Coordination and the Aqueous Ba2+ Ion
MI Chaudhari, M Soniat, SB Rempe
The Journal of Physical Chemistry B 119 (28), 8746-8753, 2015
512015
Hydration mimicry by membrane ion channels
MI Chaudhari, JM Vanegas, LR Pratt, A Muralidharan, SB Rempe
Annual review of physical chemistry 71 (1), 461-484, 2020
432020
Molecular-scale hydrophobic interactions between hard-sphere reference solutes are attractive and endothermic
MI Chaudhari, SA Holleran, HS Ashbaugh, LR Pratt
Proceedings of the National Academy of Sciences 110 (51), 20557-20562, 2013
432013
Statistical analyses of hydrophobic interactions: a mini-review
LR Pratt, MI Chaudhari, SB Rempe
The Journal of Physical Chemistry B 120 (27), 6455-6460, 2016
352016
Strontium and barium in aqueous solution and a potassium channel binding site
MI Chaudhari, SB Rempe
The Journal of Chemical Physics 148 (22), 2018
302018
The impact of protonation on early translocation of anthrax lethal factor: Kinetics from molecular dynamics simulations and milestoning theory
P Ma, AE Cardenas, MI Chaudhari, R Elber, SB Rempe
Journal of the American Chemical Society 139 (42), 14837-14840, 2017
302017
Molecular theory and the effects of solute attractive forces on hydrophobic interactions
MI Chaudhari, SB Rempe, D Asthagiri, L Tan, LR Pratt
The Journal of Physical Chemistry B 120 (8), 1864-1870, 2016
292016
Quasi-chemical theory for anion hydration and specific ion effects: Cl-(aq) vs. F-(aq)
A Muralidharan, LR Pratt, MI Chaudhari, SB Rempe
Chemical Physics Letters 737, 100037, 2019
272019
Assessment of simple models for molecular simulation of ethylene carbonate and propylene carbonate as solvents for electrolyte solutions
MI Chaudhari, A Muralidharan, LR Pratt, SB Rempe
Modeling Electrochemical Energy Storage at the Atomic Scale, 53-77, 2018
262018
Interfaces of propylene carbonate
X You, MI Chaudhari, LR Pratt, N Pesika, KM Aritakula, SW Rick
The Journal of chemical physics 138 (11), 2013
262013
Hydration of Kr (aq) in dilute and concentrated solutions
MI Chaudhari, D Sabo, LR Pratt, SB Rempe
Journal of Physical Chemistry B, 2014
242014
Utility of chemical computations in predicting solution free energies of metal ions
MI Chaudhari, LR Pratt, SB Rempe
Molecular Simulations, 1-7, 2017
222017
Quasi-chemical theory of F−(aq): The “no split occupancies rule” revisited
MI Chaudhari, SB Rempe, LR Pratt
The Journal of Chemical Physics 147 (16), 2017
182017
Quasi-Chemical Theory with Cluster Sampling from Ab Initio Molecular Dynamics: Fluoride (F) Anion Hydration
A Muralidharan, LR Pratt, MI Chaudhari, SB Rempe
The Journal of Physical Chemistry A 122 (51), 9806-9812, 2018
162018
Role of solute attractive forces in the atomic-scale theory of hydrophobic effects
A Gao, L Tan, MI Chaudhari, D Asthagiri, LR Pratt, SB Rempe, JD Weeks
The Journal of Physical Chemistry B 122 (23), 6272-6276, 2018
142018
Concentration dependence of the Flory-Huggins interaction parameter in aqueous solutions of capped PEO chains
MI Chaudhari, LR Pratt, ME Paulaitis
The Journal of Chemical Physics 141 (24), 2014
142014
Dielectric properties of ethylene carbonate and propylene carbonate using molecular dynamics simulations
X You, M Chaudhari, S Rempe, LR Pratt
ECS Transactions 69 (1), 107, 2015
132015
En aquests moments el sistema no pot dur a terme l'operació. Torneu-ho a provar més tard.
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