A computational investigation and the conformational analysis of dimers, anions, cations, and zwitterions of L-phenylalanine. - Uppula Purushotham; Dolly Vijay; G. Narahari Sastry (J. Comput. Chem., 2012)

Buckybowls as adsorbents for CO2, CH4, and C2H2: Binding and structural insights from computational study. - M. Althaf Hussain; Dolly Vijay; G. Narahari Sastry (J. Comput. Chem., 2016)