36 citations · 61 across the 4 of their papers we have counts for
4 papers
Polarizability Plays a Decisive Role in Modulating Association Between Molecular Cations and Anions
Chase E. Herman, Arjun Valiya Parambathu, D. N. Asthagiri +1
Electrostatic interactions involving proteins depend not just on the ionic charges involved but also on their chemical identities. Here we examine the origins of incompletely under…
Role of Internal Motions and Molecular Geometry on the NMR Relaxation of Hydrocarbons
Philip M. Singer, Dilip Asthagiri, Zeliang Chen +3
The role of internal motions and molecular geometry on H NMR relaxation times in hydrocarbons is investigated using MD (molecular dynamics) simulations of the autocor…
Electrostatic and induction effects in the solubility of water in alkanes
D. Asthagiri, A. Valiya Parambathu, Deepti Ballal +1
Experiments show that at 298~K and 1 atm pressure the transfer free energy, , of water from its vapor to liquid normal alkanes () is negative…
Thermodynamics of mixtures of patchy and spherical colloids of different sizes: a multi-body association theory with complete reference fluid information
Artee Bansal, Arjun Valiya Parambathu, D. Asthagiri +2
We present a theory to predict the structure and thermodynamics of mixtures of colloids of different diameters, building on our earlier work [J. Chem. Phys. 145, 074904 (2016)] tha…