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Filters: Author is Vanka, Kumar and Keyword is Density functional theory [Clear All Filters]
, “Insights into chemical reactions at the beginning of the universe: from HeH+ to H-3 (+)”, Frontiers in Chemistry, vol. 9, p. 679750, 2021.
, “B(C6F5)(3): catalyst or initiator? insights from computational studies into surrogate silicon chemistry”, ACS Catalysis, vol. 8, no. 7, pp. 6163-6176, 2018.
, “Can substituted allenes be highly efficient leaving groups in catalytic processes? a computational investigation”, Journal of Computational Chemistry, vol. 36, no. 11, pp. 795-804, 2015.
, “Metal or nonmetal cooperation with a phenyl group: route to catalysis? a computational investigation”, ACS Catalysis, vol. 3, no. 5, pp. 920-927, 2013.