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M. Kumar Bisai, Ajithkumar, V. S., K. Raj, V., Vanka, K., Gonnade, R. G., and Sen, S. S., Zwitterionic disilanylium from an unsymmetrical disilene, Chemical Communications, vol. 59, no. 12, pp. 1669-1672, 2023.
R. Kumar, Sharma, V., Jain, S., Sharma, H., Vanka, K., and Sen, S. S., Well-defined calcium compound catalyzes trimerization of arylisocyanates into 1,3,5-triarylisocyanurates, ChemCatChem, vol. 14, no. 11, p. e202101788, 2022.
S. Banerjee and Vanka, K., "Weak" C-H•••S interaction drives enantioselectivity in cinchona alkaloid complex catalyzed thiocyanation, Chemistry-An Asian Journal, vol. 18, no. 14, p. e202300321, 2023.
A. Singh, Singh, A. Kumar, Dixit, R., Vanka, K., Krishnamoorthy, K., and Nithyanandhan, J., Visible-light-active unsymmetrical squaraine dyes with 1 V of open-circuit voltage for dye-sensitized solar cells, ChemPhotoChem, vol. 7, no. 5, 2023.
M. K. Jaiswal, Kumar, R., Singh, S., Jain, S., Vanka, K., and Singh, R. P., Vinylogous michael addition of 3-alkylidene-2-oxindoles to beta,gamma-unsaturated alpha-keto esters by bifunctional cinchona alkaloids, European Journal of Organic Chemistry, vol. 2020, no. 35, pp. 5690-5694, 2020.
G. Kundu, Dixit, R., Tothadi, S., Vanka, K., and Sen, S. S., Versatile chemistry of six-membered NHC with boranes: bromination at sp(3) borane, activation of the B-H bond of HBpin, and ring expansion of NHC, Dalton Transactions, vol. 51, no. 38, pp. 14452-14457, 2022.
S. Jain and Vanka, K., Unusual role of the aromatic solvent in single site Al(I) chemistry: insights from theory, Chemistry - A European Journal, vol. 23, no. 56, pp. 13957-13963, 2017.
M. Kumar Bisai, Das, T., Vanka, K., Gonnade, R. G., and Sen, S. S., Unsymmetrical sp(2)-sp(3) disilenes, Angewandte Chemie-International Edition, vol. 60, no. 38, pp. 20706-20710, 2021.
A. Mukherjee, Ghule, S., Tiwari, M. K., and Vanka, K., Unraveling the hidden role of the counteranion in ``cation in a cage'' systems, Journal of Physical Chemistry A, vol. 124, no. 39, pp. 8040-8049, 2020.
A. K. Jana, Tiwari, M. K., Vanka, K., and Sengupta, N., Unraveling origins of the heterogeneous curvature dependence of polypeptide interactions with carbon nanostructures, Physical Chemistry Chemical Physics, vol. 18, no. 8, pp. 5910-5924, 2016.
S. Kumar Singh, Banerjee, S., Vanka, K., and Dhepe, P. Laxmikant, Understanding interactions between lignin and ionic liquids with experimental and theoretical studies during catalytic depolymerisation, Catalysis Today, vol. 309, pp. 98-108, 2018.
S. Madhu, Gonnade, R. G., Das, T., Vanka, K., and Sanjayan, G. J., Twelve-armed hexaphenylbenzene-based giant supramolecular framework for entrapping guest molecules, ChemPlusChem, vol. 83, no. 11, pp. 1032-1037, 2018.
S. S. Bhat, Kumbhar, A. S., Purandare, N., Khan, A., Grampp, G., Loennecke, P., Hey-Hawkins, E., Dixit, R., and Vanka, K., Tris-heteroleptic ruthenium(II) polypyridyl complexes: Synthesis, structural characterization, photophysical, electrochemistry and biological properties, Journal of Inorganic Biochemistry, vol. 203, p. 110903, 2020.
S. Pahar, Sharma, V., Mahata, B., George, C. P., Sharma, H., Vanka, K., and Sen, S. S., Tridentate NacNac stabilized tin and nickel complexes: access to a monomeric nickel hydride and its catalytic application, Inorganic Chemistry, vol. 61, no. 43, pp. 17370-17377, 2022.
B. Raghavendra, Bakthavachalam, K., Das, T., Roisnel, T., Sen, S. S., Vanka, K., and Ghosh, S., Transmetallation vs adduct: diverse reactivity of N,O-ketiminato germylene with [Cp*MCl2](2) (M = Rh or Ir; Cp* = eta(5)-C5Me5) and MCl5 (M = Nb and Ta), Journal of Organometallic Chemistry, vol. 911, p. 121142, 2020.
P. S. Dhote, Patel, P., Vanka, K., and Ramana, C. V., Total synthesis of the pseudoindoxyl class of natural products, Organic & Biomolecular Chemistry, vol. 19, no. 37, pp. 7970-7994, 2021.
B. P. Gurale, Krishnaswamy, S., Vanka, K., and Shashidhar, M. S., Thermal epimerization of inositol 1,3-benzylidene acetals in the molten state, Tetrahedron, vol. 67, no. 38, pp. 7280-7288, 2011.
N. Kuriakose, Kadam, S., and Vanka, K., Theoretical study of metal-metal cooperativity in the homogeneous water gas shift reaction, Inorganic Chemistry, vol. 51, no. 1, pp. 377-385, 2012.
G. Kundu, Amrutha, P. R., K. Raj, V., Tothadi, S., Vanka, K., and Sen, S. S., Taming the parent oxoborane, Chemical Science, vol. 14, no. 22, pp. 5894-5898, 2023.
R. Kumar, Yadav, S., Gour, K., Sangtani, E., Dash, S. Ranjan, Raja, A., Vanka, K., Gonnade, R. G., and Sen, S. S., Tale of biphenyl and terphenyl substituents for structurally diverse ketiminato magnesium, calcium and germanium complexes, Chemistry-An Asian Journal, vol. 15, no. 6, pp. 820-827, 2020.
V. S. Ajithkumar, Ghanwat, P. B., K. Raj, V., Vanka, K., Gonnade, R. G., and Sen, S. S., Synthesis of Si(IV)- and Ge(II)-substituted amines, hydrazone, and hydrazine from hypersilyl germylene, Organometallics, vol. 42, no. 20, pp. 2983-2990, 2023.
S. Chandra Philkhana, Seetharamsingh, B., Dangat, Y. B., Vanka, K., and D. Reddy, S., Synthesis of palmyrolide A and its cis-isomer and mechanistic insight into trans-cis isomerisation of the enamide macrocycle, Chemical Communications, vol. 49, no. 32, pp. 3342-3344, 2013.
S. Senapati, Das, S., Dixit, R., Vanka, K., and , Synthesis of four diastereomers of notoryne and their C-13 NMR chemical shifts analysis, Journal of Chemical Sciences, vol. 133, no. 3, p. 76, 2021.
M. Kumar, Kumar, A., Rizvi, M., Mane, M., Vanka, K., Taneja, S. C., and Shah, B. Ali, Synthesis of alpha,beta-unsaturated delta-lactones by vinyl acetate mediated asymmetric cross-aldol reaction of acetaldehyde: mechanistic insights, European Journal of Organic Chemistry, no. 24, pp. 5247-5255, 2014.
H. Chijioke Adimudo, Agu, C. Justus, Okenyeka, O. U., Eddy, N. O., Dim, E. Nnamdi, Dege, N., Bonardd, S., Vanka, K., Ibezim, A., Idika, D. Iku, Diaz, D. Diaz, and Obasi, N. Lawrence, Synthesis, characterization, crystal structure, in silico and computational studies on a novel Schiff base derived from α-chlorocinnamaldehyde and 4-aminoantipyrine, Journal of Molecular Structure, vol. 1289, p. 135928, 2023.
M. Kumar Bisai, Swamy, V. S. V. S. N., Das, T., Vanka, K., Gonnade, R. G., and Sen, S. S., Synthesis and reactivity of a hypersilylsilylene , Inorganic chemistry, vol. 58, no. 16, pp. 10536-10542, 2019.
R. Dixit, Bisai, M. Kumar, Yadav, S., Yadav, V., Sen, S. S., and Vanka, K., Substrate, catalyst, and solvent: the triune nature of multitasking reagents in hydroboration and cyanosilylation, Organometallics, vol. 40, no. 8, pp. 1104-1112, 2021.
G. Kundu, Ajithkumar, V. S., K. Raj, V., Vanka, K., Tothadi, S., and Sen, S. S., Substitution at sp(3) boron of a six-membered NHC center dot BH3: convenient access to a dihydroxyborenium cation, Chemical Communications, vol. 58, no. 23, pp. 3783-3786, 2022.
P. Pachfule, Dey, C., Panda, T., Vanka, K., and Banerjee, R., Structural diversity in partially fluorinated metal organic frameworks (F-MOFs) composed of divalent transition metals, 1,10-phenanthroline, and fluorinated carboxylic acid, Crystal Growth & Design, vol. 10, no. 3, pp. 1351-1363, 2010.
S. Kadam and Vanka, K., Solving the problem of negative populations in approximate accelerated stochastic simulations using the representative reaction approach, Journal of Computational Chemistry, vol. 34, no. 5, pp. 394-404, 2013.
A. Pal and Vanka, K., Small molecule activation by constrained phosphorus compounds: insights from theory, Inorganic Chemistry, vol. 55, no. 2, pp. 558-565, 2016.
K. Gour, Kundu, G., Dash, S. Ranjan, Vanka, K., Tothadi, S., and Sen, S. S., Six-membered NHC stabilized monomeric zinc complexes, European Journal of Inorganic Chemistry, vol. 26, no. 21, p. e202300167, 2023.
V. S. V. S. N. Swamy, K. Raj, V., Vanka, K., Sen, S. S., and Roesky, H. W., Silylene induced cooperative B-H bond activation and unprecedented aldehyde C-H bond splitting with amidinate ring expansion, Chemical Communications, vol. 55, no. 24, pp. 3536-3539, 2019.
A. K. Nakate, Thorat, S. S., Jain, S., Krishna, G. Rama, Vanka, K., and Kontham, R., Silver-catalyzed [3 + 3]-annulation cascade of alkynyl alcohols and α,β-unsaturated ketones for the regioselective assembly of chromanes, Organic Chemistry Frontiers, vol. 9, no. 3, pp. 802-809, 2022.
R. Dixit, Sharma, H., Agbossou-Niedercorn, F., Vanka, K., and Michon, C., Silver dependent enantiodivergent gold(i) catalysed asymmetric intramolecular hydroamination of alkenes: a theoretical study, Catalysts, vol. 12, no. 11, p. 1392, 2022.
P. Chandra, Doke, D. S., Umbarkar, S. B., Vanka, K., and Biradar, A. V., Silica microspheres containing high density surface hydroxyl groups as efficient epoxidation catalysts, RSC Advances, vol. 5, no. 27, pp. 21125-21131, 2015.
K. Patel, Deshmukh, S. S., Bodkhe, D., Mane, M., Vanka, K., Shinde, D., Rajamohanan, P. R., Nandi, S., Vaidhyanathan, R., and Chikkali, S. H., Secondary interactions arrest the hemiaminal intermediate to invert the modus operandi of schiff base reaction: a route to benzoxazinones, Journal of Organic Chemistry, vol. 82, no. 8, pp. 4342-4351, 2017.
A. B. Shabade, Sharma, D. M., Bajpai, P., Gonnade, R. G., Vanka, K., and Punji, B., Room temperature chemoselective hydrogenation of C=C, C=O and C=N bonds by using a well-defined mixed donor Mn(I) pincer catalyst, Chemical Science, vol. 13, no. 46, pp. 13764-13773, 2022.
J. Kumawat, Gupta, V. Kumar, and Vanka, K., Role of the (104) MgCl2 lateral cut in ziegler-natta catalysis: a computational investigation, Journal of Physical Chemistry C, vol. 122, no. 1, pp. 285-296, 2018.
P. S. Shaligram, George, C. P., Sharma, H., Mahadik, K. R., Patil, S., Vanka, K., Arulmozhi, S., and Gonnade, R. G., Rivaroxaban eutectics with improved solubility, dissolution rates, bioavailability and stability, Crystengcomm, vol. 25, no. 22, pp. 3253-3263, 2023.
S. Ghosh, Deka, H., Dangat, Y. B., Saha, S., Gogoi, K., Vanka, K., and Mondal, B., Reductive nitrosylation of nickel(II) complex by nitric oxide followed by nitrous oxide release, Dalton Transactions, vol. 45, no. 25, pp. 10200-10208, 2016.
M. Kumar Bisai, Gour, K., Das, T., Vanka, K., and Sen, S. S., Readily available lithium compounds as catalysts for the hydroboration of carbodiimides and esters, Journal of Organometallic Chemistry, vol. 949, p. 121924, 2021.
N. K. Agrawal, Dash, S. R., Vanka, K., Nethaji, M., and Jagirdar, B. R., Reactivity of four coordinate iridium complex towards hydrogen: an experimental and computational study, Journal of Organometallic Chemistry, vol. 965, p. 122317, 2022.
B. P. Gurale, Vanka, K., and Shashidhar, M. S., Radical mediated deoxygenation of inositol benzylidene acetals: conformational analysis, DFT calculations, and mechanism, Carbohydrate Research, vol. 351, pp. 26-34, 2012.
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.
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.
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.
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.
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.
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. 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.
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.
N. Kuriakose and Vanka, K., New insights into small molecule activation by acyclic silylenes: a computational investigation, Dalton Transactions, vol. 43, no. 5, pp. 2194-2201, 2014.
S. Kadam and Vanka, K., New approximate method for the stochastic simulation of chemical systems: the representative reaction approach, Journal of Computational Chemistry, vol. 33, no. 3, pp. 276-285, 2012.
J. Kumawat, Gupta, V. Kumar, and Vanka, K., Nature of the active site in ziegler-natta olefin polymerization catalysis systems - a computational investigation, European Journal of Inorganic Chemistry, no. 29, pp. 5063-5076, 2014.
M. Toriyama, Maher, T. R., Holovics, T. C., Vanka, K., Day, V. W., Berrie, C. L., Thompson, W. H., and Barybin, M. V., Multipoint anchoring of the [2.2.2.2]metacyclophane motif to a gold surface via self-assembly: coordination chemistry of a cyclic tetraisocyanide revisited, Inorganic Chemistry, vol. 47, no. 8, pp. 3284-91, 2008.
M. A. Pitt, Zakharov, L. N., Vanka, K., Thompson, W. H., Laird, B. B., and Johnson, D. W., Multiple weak supramolecular interactions stabilize a surprisingly twisted As2L3 assembly, Chemical Communications, no. 33, pp. 3936 - 3938, 2008.
S. Dinesh Shrivastava, Eldho, K. Mathai, Rajamohanan, P. R., Ajithkumar, T. G., Vanka, K., and Kumaraswamy, G., Molecular motifs for additives that retard PEO crystallization, Polymer Engineering & Science, vol. 57, no. 8, pp. 857-864, 2017.
K. I. Shivakumar, Swathi, K., Goudappagouda,, Das, T. C., Kumar, A., Makde, R. D., Vanka, K., Narayan, K. S., Babu, S. Santhosh, and Sanjayan, G. J., Mixed-stack charge transfer crystals of pillar[5]quinone and tetrathiafulvalene exhibiting ferroelectric features, Chemistry- A European Journal , vol. 23, no. 51, 2017.
K. D. Mane, Mukherjee, A., Vanka, K., and Suryavanshi, G., Metal-free regioselective cross dehydrogenative coupling of cyclic ethers and aryl carbonyls, Journal of Organic Chemistry, vol. 84, no. 4, pp. 2039-2047, 2019.
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.
V. C. Wakchaure, Ranjeesh, K. C., Goudappagouda,, Das, T., Vanka, K., Gonnade, R., and Babu, S. S., Mechano-responsive room temperature luminescence variations of boron conjugated pyrene in air, Chemical Communications, vol. 54, no. 47, pp. 6028-6031, 2018.
A. Sen, Kumar, R., Pandey, S., K. Raj, V., Kumar, P., Vanka, K., and Chikkali, S. H., Mechanistically guided one pot synthesis of phosphine-phosphite and its implication in asymmetric hydrogenation, European Journal of Organic Chemistry, vol. 2022, no. 2, p. e202101447, 2022.
S. M. Khake, Jagtap, R. A., Dangat, Y. B., Gonnade, R. G., Vanka, K., and Punji, B., Mechanistic insights into pincer-ligated palladium-catalyzed arylation of azoles with aryl Iodides: evidence of a Pd-II-Pd-IV-Pd-II pathway, Organometallics, vol. 35, no. 6, pp. 875–886, 2016.
U. N. Patel, Jain, S., Pandey, D. K., Gonnade, R. G., Vanka, K., and Punji, B., Mechanistic aspects of pincer nickel(II)-catalyzed C-H bond alkylation of azoles with alkyl halides, Organometallics, vol. 37, no. 6, pp. 1017-1025, 2018.
K. K. Singh, Tiwari, M. K., Dhar, B. B., Vanka, K., and Gupta, S. Sen, Mechanism of oxygen atom transfer from Fe-V(O) to olefins at room temperature, Inorganic Chemistry, vol. 54, no. 13, pp. 6112-6121, 2015.
S. M. Khake, Jain, S., Patel, U. N., Gonnade, R. G., Vanka, K., and Punji, B., Mechanism of nickel(II)-catalyzed C(2)-H alkynylation of indoles with alkynyl bromide, Organometallics, vol. 37, no. 13, pp. 2037-2045, 2018.
R. Kumar, Pahar, S., Chatterjee, J., Dash, S. Ranjan, Gonnade, R. G., Vanka, K., and Sen, S. S., Luminescent magnesium complexes with intra- and inter-ligand charge transfer, Chemical Communications, vol. 58, no. 84, pp. 11843-11846, 2022.
M. Kumar Bisai, Yadav, S., Das, T., Vanka, K., and Sen, S. S., Lithium compounds as single site catalysts for hydroboration of alkenes and alkynes, Chemical Communications, vol. 55, no. 78, pp. 11711-11714, 2019.
M. Kumar Bisai, Gour, K., Das, T., Vanka, K., and Sen, S. S., Lithium compound catalyzed deoxygenative hydroboration of primary, secondary and tertiary amides, Dalton Transactions, vol. 50, no. 7, pp. 2354-2358, 2021.
S. Pandey, K. Raj, V., Shinde, D. R., Vanka, K., Kashyap, V., Kurungot, S., Vinod, C. P., and Chikkali, S. H., Iron Catalyzed Hydroformylation of Alkenes under Mild Conditions: Evidence of an Fe(II) Catalyzed Process, Journal of the American Chemical Society, vol. 140, pp. 4430-4439, 2018.
V. T. Humne, Dangat, Y. B., Vanka, K., and Lokhande, P., Iodine-catalyzed aromatization of tetrahydrocarbazoles and its utility in the synthesis of glycozoline and murrayafoline A: a combined experimental and computational investigation, Organic & Biomolecular Chemistry, vol. 12, no. 27, pp. 4832-4836, 2014.
V. Gupta, Rao, V. U. Bhaskar, Das, T., Vanka, K., and Singh, R. P., Intramolecular dehydrogenative coupling of 2,3-diaryl acrylic compounds: access to substituted phenanthrenes, Journal of Organic Chemistry, vol. 81, no. 13, pp. 5663-5669, 2016.
S. Karak, Kumar, S., Bera, S., Diaz, D. Diaz, Banerjee, S., Vanka, K., and Banerjee, R., Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks, Chemical Communications, vol. 53, no. 26, pp. 3705-3708, 2017.
T. Das, Ghule, S., and Vanka, K., Insights into the origin of life: did it begin from HCN and H2O?, Acs Central Science, vol. 5, no. 9, pp. 1532-1540, 2019.
V. K. Raj, Kumawat, J., Dhamaniya, S., Subaramanian, M., Balaraman, E., Gupta, V. Kumar, Vanka, K., and Grubbs, R. H., Insights into the nature of self-extinguishing external donors for ziegler-natta catalysis: a combined experimental and DFT study, ChemCatChem, vol. 13, no. 2, pp. 674-681, 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.
A. Awasthi, Mukherjee, A., Singh, M., Rathee, G., Vanka, K., and Chandra, R., Highly efficient chemoselective N-tert butoxycarbonylation of aliphatic/aromatic/heterocyclic amines using diphenylglycoluril as organocatalyst, Tetrahedron, vol. 76, no. 23, p. 131223, 2020.
N. K. Agrawal, Gayathridevi, S., Dash, S. R., Vanka, K., and Jagirdar, B. R., H-atom site exchange in an iridium trans-dihydrogen/hydride complex, trans-[Ir(H)(?2-H2)(iPr)4(POCOP)(DMAP)]+, Dalton Transactions, vol. 52, no. 39, pp. 13858-13863, 2023.
V. S. Shinde, Mane, M. V., Vanka, K., Mallick, A., and Patil, N. T., Gold(I)/chiral brønsted acid catalyzed enantioselective hydroamination-hydroarylation of alkynes: effect of remote hydroxyl group in the reactivity and enantioselectivity, Chemistry - A European Journal, vol. 21, no. 3, pp. 975-979, 2015.
V. K. Raj, Dhote, P. S. S., Vanka, K., and Ramana, C. V. V., Gold-catalyzed complementary nitroalkyne internal redox process: a DFT study, Frontiers in Chemistry, vol. 9, p. 689780, 2021.
U. D. Phalgune, Vanka, K., and Rajamohanan, P. R., GIAO/DFT studies on 1,2,4-triazole-5-thiones and their propargyl derivatives, Magnetic Resonance in Chemistry, vol. 51, no. 12, pp. 767-774, 2013.
B. P. Mali, Dash, S. Ranjan, Nikam, S. B., Puthuvakkal, A., Vanka, K., Manoj, K., and Gonnade, R. G., Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with pi-stacking interactions, Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials, vol. 76, pp. 850-864, 2020.
V. S. V. S. N. Swamy, Yadav, S., Pal, S., Das, T., Vanka, K., and Sen, S. S., Facile access to a Ge(II) dication stabilized by isocyanides, Chemical Communications, vol. 52, no. 50, pp. 7890-7892, 2016.
Y. B. Dangat and Vanka, K., Exploring the reducing role of boron: added insights from theory, Dalton Transactions, vol. 45, no. 14, pp. 5978-5988, 2016.
M. V. Mane, Venkatnathan, A., Ghatak, K., and Vanka, K., Exploring the potential of doped zero-dimensional cages for proton transfer in fuel cells: a computational study, Journal of Physical Chemistry B, vol. 116, no. 32, pp. 9803-9811, 2012.
A. Pal and Vanka, K., Exploring the effectiveness of different Lewis pair combinations in caged structures for the catalysis of ammonia borane dehydrogenation: a DFT study, Physical Chemistry Chemical Physics, vol. 15, no. 48, pp. 20857-20867, 2013.
Y. B. Dangat, Rizvi, M. Ahmad, Pandey, P., and Vanka, K., Exploring activity differences between the hydroformylation catalysts: Insights from theory, Journal of Organometallic Chemistry, vol. 801, pp. 30-41, 2016.
S. P. Chavan, Khatod, H. S., Das, T., and Vanka, K., Exploration of the diastereoselectivity in an unusual Grignard reaction and its application towards the synthesis of styryl lactones 7-epi-(+)-goniodiol and 8-epi-(-)-goniodiol, RSC Advances, vol. 6, no. 56, pp. 50721-50725, 2016.
M. Tiwari and Vanka, K., Exploiting directional long range secondary forces for regulating electrostatics dominated noncovalent interactions, Chemical Science, vol. 8, no. 2, pp. 1378-1390, 2017.
G. Kundu, Dash, S. Ranjan, Kumar, R., Vanka, K., Ghosh, A., and Sen, S. S., Enhancing diradical character of chichibabin's hydrocarbon through fluoride substitution, ChemPlusChem, vol. 88, no. 8, p. e202300273, 2023.
S. B. Jadhav, Dash, S. Ranjan, Maurya, S., Nanubolu, J. Babu, Vanka, K., and Chegondi, R., Enantioselective Cu(I)-catalyzed borylative cyclization of enone-tethered cyclohexadienones and mechanistic insights, Nature Communications, vol. 13, no. 1, p. 854, 2022.
K. Srinivas, Dangat, Y., Kommagalla, Y., Vanka, K., and Ramana, C. V., Electronic control on linear versus branched alkylation of 2-/3-aroylbenzofurans with acrylates: combined DFT and synthetic studies, Chemistry-A European Journal, vol. 23, no. 31, pp. 7570-7581, 2017.
S. Jain and Vanka, K., Effect of solvent-substrate noncovalent interactions on the diastereoselectivity in the intramolecular carbonyl-ene and the staudinger [2+2] cycloaddition reactions, Journal of Physical Chemistry A, vol. 124, no. 39, pp. 8019-8028, 2020.
J. Kumawat, Gupta, V. Kumar, and Vanka, K., Effect of donors on the activation mechanism in ziegler-natta catalysis: a computational study, Chemcatchem, vol. 8, no. 10, pp. 1809-1818, 2016.
P. K. Warghude, Sabale, A. S., Dixit, R., Vanka, K., and Bhat, R. G., Easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles via [3+2] annulation, Organic & Biomolecular Chemistry, vol. 19, no. 19, pp. 4338-4345, 2021.
M. Bisai, Das, T., Vanka, K., and Sen, S. S., Easily accessible lithium compound catalyzed mild and facile hydroboration and cyanosilylation of aldehydes and ketones, Chemical Communications, vol. 54, no. 50, 2018.
N. K. Agrawal, Dash, S. R., Vanka, K., and Jagirdar, B. R., Dual routes toward observation of a trans-H2/hydride complex in an iridium pincer system and hydrogenation catalytic activity, Organometallics, vol. 42, no. 6, pp. 441-456, 2023.
J. Kumawat, Gupta, V. Kumar, and Vanka, K., Donor decomposition by lewis acids in Ziegler-Natta catalyst systems: a computational investigation, Organometallics, vol. 33, no. 17, pp. 4357-4367, 2014.

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