Anant D. Kulkarni

Structure and Stability of Water Clusters (H₂O)<i>_n</i>, <i>n</i> = 8−20:  An Ab Initio Investigation

Shruti Maheshwary, Nitin Patel, N. Sathyamurthy et al. · The Journal of Physical Chemistry A · 2001 · 517 citations

Natural Sciences, Chemistry, Computational Chemistry +10

Performance of Density Functional Theory and Møller–Plesset Second-Order Perturbation Theory for Structural Parameters in Complexes of Ru

Anant D. Kulkarni, Donald G. Truhlar · Journal of Chemical Theory and Computation · 2011 · 159 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +15

Adsorption and Diffusion of Light Gases in ZIF-68 and ZIF-70: A Simulation Study

Rees B. Rankin, Jinchen Liu, Anant D. Kulkarni et al. · The Journal of Physical Chemistry C · 2009 · 136 citations

Natural Sciences, Chemistry, Materials Science +17

Oxygen Interactions with Silica Surfaces: Coupled Cluster and Density Functional Investigation and the Development of a New ReaxFF Potential

Anant D. Kulkarni, Donald G. Truhlar, Sriram Goverapet Srinivasan et al. · The Journal of Physical Chemistry C · 2012 · 100 citations

Natural Sciences, Chemistry, Physics +17

H−π Complexes of Acetylene−Ethylene:  A Matrix Isolation and Computational Study

K. Sundararajan, K. Sankaran, K. S. Viswanathan et al. · The Journal of Physical Chemistry A · 2002 · 89 citations

Natural Sciences, Chemistry, Physics +17