Shaji Chempath

Storage and Separation of CO₂ and CH₄ in Silicalite, C₁₆₈ Schwarzite, and IRMOF-1:  A Comparative Study from Monte Carlo Simulation

Ravichandar Babarao, Zhongqiao Hu, Jianwen Jiang et al. · Langmuir · 2006 · 410 citations

Natural Sciences, Chemical Engineering, Materials Science +17

Object-oriented Programming Paradigms for Molecular Modeling

Amit Gupta, Shaji Chempath, Martin J. Sanborn et al. · Molecular Simulation · 2003 · 381 citations

Natural Sciences, Chemistry, Physics +17

Mechanism of Tetraalkylammonium Headgroup Degradation in Alkaline Fuel Cell Membranes

Shaji Chempath, Brian R. Einsla, Lawrence R. Pratt et al. · The Journal of Physical Chemistry C · 2008 · 368 citations · Full text

Natural Sciences, Chemical Engineering, Chemistry +17

Density Functional Theory Study of Degradation of Tetraalkylammonium Hydroxides

Shaji Chempath, James M. Boncella, Lawrence R. Pratt et al. · The Journal of Physical Chemistry C · 2010 · 245 citations

Natural Sciences, Chemical Engineering, Chemistry +17

Nonequilibrium Molecular Dynamics Simulations of Diffusion of Binary Mixtures Containing Short <i>n</i>-Alkanes in Faujasite

Shaji Chempath, Rajamani Krishna, Randall Q. Snurr · The Journal of Physical Chemistry B · 2004 · 111 citations

Natural Sciences, Chemical Engineering, Chemistry +17