Mangesh Chaudhari
Mangesh Chaudhari
Verified email at sandia.gov
Title
Cited by
Cited by
Year
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
392013
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
372016
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
322016
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
242016
Octa-Coordination and the Aqueous Ba2+ Ion
MI Chaudhari, M Soniat, SB Rempe
The Journal of Physical Chemistry B 119 (28), 8746-8753, 2015
222015
Hydration of Kr (aq) in dilute and concentrated solutions
MI Chaudhari, D Sabo, LR Pratt, SB Rempe
Journal of Physical Chemistry B, 2014
222014
Interfaces of propylene carbonate
X You, MI Chaudhari, LR Pratt, N Pesika, KM Aritakula, SW Rick
The Journal of chemical physics 138 (11), 114708, 2013
192013
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
182017
Molecular dynamics of lithium ion transport in a model solid electrolyte interphase
A Muralidharan, MI Chaudhari, LR Pratt, SB Rempe
Scientific reports 8 (1), 1-8, 2018
172018
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
152016
Strontium and barium in aqueous solution and a potassium channel binding site
MI Chaudhari, SB Rempe
The Journal of chemical physics 148 (22), 222831, 2018
122018
Utility of chemical computations in predicting solution free energies of metal ions
MI Chaudhari, LR Pratt, SB Rempe
Molecular Simulations, 1-7, 2017
122017
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), 161728, 2017
112017
Communication: Direct observation of a hydrophobic bond in loop closure of a capped (–OCHCH–) oligomer in water
MI Chaudhari, LR Pratt, ME Paulaitis
The Journal of chemical physics 133 (23), 231102, 2010
112010
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
102018
Aqua incognita: why ice floats on water and galileo 400 years on
X You, MI Chaudhari, LR Pratt
Connor Court Press: Ballarat, Australia, 2014
102014
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), 244908, 2014
92014
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: X 4, 100037, 2019
72019
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
72018
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
72018
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Articles 1–20