biblio

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Filters: Author is Vanka, Kumar and Keyword is Density functional theory  [Clear All Filters]
2013
K. Ghatak, Mane, M., and Vanka, K., “Metal or nonmetal cooperation with a phenyl group: route to catalysis? a computational investigation”, ACS Catalysis, vol. 3, no. 5, pp. 920-927, 2013.
2015
N. Kuriakose and Vanka, K., “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.
2018
S. Banerjee and Vanka, K., “B(C6F5)(3): catalyst or initiator? insights from computational studies into surrogate silicon chemistry”, ACS Catalysis, vol. 8, no. 7, pp. 6163-6176, 2018.
2021
S. Ranjan Dash, Das, T., and Vanka, K., “Insights into chemical reactions at the beginning of the universe: from HeH+ to H-3 (+)”, Frontiers in Chemistry, vol. 9, p. 679750, 2021.
2024
S. Banerjee and Vanka, K., “Role of aromatic alcohol additives on asymmetric organocatalysis reactions: insights from theory”, Chemistry-an asian jounrnal, vol. 19, 2024.