Andrew Sirjoosingh

Andrew Sirjoosingh

Northwestern University - Evanston / United States
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 889816
person_outline Andrew Sirjoosingh's MOST POPULAR ARTICLES
1-) Proton-coupled electron transfer versus hydrogen atom transfer: generation of charge-localized diabatic statesA Sirjoosingh, S Hammes-SchifferThe Journal of Physical Chemistry A 115 (11), 2367-2377, 20111552011
2-) Grand-canonical Monte Carlo and molecular-dynamics simulations of carbon-dioxide and carbon-monoxide adsorption in zeolitic imidazolate framework materialsA Sirjoosingh, S Alavi, TK WooThe Journal of Physical Chemistry C 114 (5), 2171-2178, 2010922010
3-) Multicomponent density functional theory study of the interplay between electron-electron and electron-proton correlationA Sirjoosingh, MV Pak, S Hammes-SchifferThe Journal of chemical physics 136 (17), 174114, 2012502012
4-) Diabatization schemes for generating charge-localized electron–proton vibronic states in proton-coupled electron transfer systemsA Sirjoosingh, S Hammes-SchifferJournal of chemical theory and computation 7 (9), 2831-2841, 2011482011
5-) Derivation of an Electron–Proton Correlation Functional for Multicomponent Density Functional Theory within the Nuclear–Electronic Orbital ApproachA Sirjoosingh, MV Pak, S Hammes-SchifferJournal of chemical theory and computation 7 (9), 2689-2693, 2011472011