A.  Pal and Vanka, K., ?Proposing late transition metal complexes as frustrated Lewis pairs - a computational investigation?, Dalton Transactions, vol. 42, no. 38, pp. 13866-13873, 2013.

M. V.  Mane and Vanka, K., ?Proposing efficient new pendant group polymer electrolyte membranes for fuel cells: a computational study?, Journal of Physical Chemistry C, vol. 118, no. 2, pp. 784-795, 2014.

G.  Mukherjee, Thote, J., Aiyappa, H. Barike, Kandambeth, S., Banerjee, S., Vanka, K., and Banerjee, R., ?Porous porphyrin organic polymer (PPOP) for visible light triggered hydrogen production?, Chemical Communications, vol. 53, no. 32, pp. 4461-4464, 2017.

G.  Pandey, Tiwari, S. Kumar, Singh, B., Vanka, K., and Jain, S., ? p-Selective (sp(2))-C-H functionalization for an acylation/alkylation reaction using organic photoredox catalysis?,  Chemical Communications, vol. 53, no. 91, pp. 12337-12340, 2017.

S.  Rani, Dash, S. Ranjan, Bera, A., Alam, M. Nirshad, Vanka, K., and Maity, P., ?Phosphite mediated asymmetric N to C migration for the synthesis of chiral heterocycles from primary amines?, Chemical Science, vol. 12, pp. 8996-9003, 2021.

B. P.  Mali, Dash, S. Ranjan, Biswas, A., Vanka, K., Manoj, K., and Gonnade, R. G., ?Polymorphs of green fluorescence protein chromophore analogue: fluorescence switching with thermal stimuli?, Crystal Growth & Design, vol. 22, no. 3, pp. 1892-1905, 2022.

S.  Ghule, Dash, S. Ranjan, Bagchi, S., Joshi, K., and Vanka, K., ?Predicting the redox potentials of phenazine derivatives using DFT-assisted machine learning?, ACS Omega, vol. 7, no. 14, pp. 11742-11755, 2022.

K. J.  Betsy, Bajpai, P., Lazar, A., Vanka, K., and Vinod, C. P., ?Pd nanoparticles supported on N-incorporated hybrid organosilica as an active and selective low-temperature phenol hydrogenation catalyst?, ACS Applied Nano Materials, vol. 6, no. 13, pp. 11500-11512, 2023.

V.  K. Raj, Gupta, V. Kumar, and Vanka, K., ?Potential role of lewis acid-base adducts in enhancing stereoselectivity in ziegler-natta catalysts: a DFT study?, Journal of Physical Chemistry C, vol. 127, no. 15, pp. 7220-7229, 2023.

U.  Kaur, Gayen, S., Sharma, H., Vanka, K., and Ghosh, S., ?Pair of dinuclear Fe(II) enantiomers: syntheses and structures of ??/??-Bis(Dihydridoborate) complexes?, CHEMISTRY-A EUROPEAN JOURNAL, vol. 31, no. 10, 2025.