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.

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.

C. V.  Ramana, Patel, P., Vanka, K., Miao, B., and Degterev, A., ?Combined experimental and density functional theory study on the Pd-mediated cycloisomerization of o-alkynylnitrobenzenes - synthesis of isatogens and their evaluation as modulators of ROS-mediated cell death?, European Journal of Organic Chemistry, no. 31, pp. 5955-5966, 2010.

K.  Vanka, Singh, G., Iyer, D., and Gupta, V. K., ?DFT Study of lewis base interactions with the MgCl2 surface in the ziegler-natta catalytic system: expanding the role of the donors?, Journal of Physical Chemistry C, vol. 114, no. 37, pp. 15771-15781, 2010.

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.

A.  Pal and Vanka, K., ?DFT investigation of the potential of porous cages for the catalysis of ammonia borane dehydrogenation?, Chemical Communications, vol. 47, no. 41, pp. 11417-11419, 2011.

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.

K.  Ghatak and Vanka, K., ?Computational investigation of the role of the iridium dihydrogen pincer complex in the formation of the cyclic pentamer (NH2BH2)(5)?, Computational and Theoretical Chemistry, vol. 992, pp. 18-29, 2012.

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.

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.

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.

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.

N.  Kuriakose and Vanka, K., ?Can molecular cages be effective at small molecule activation? a computational investigation?, Inorganic Chemistry, vol. 52, no. 8, pp. 4238-4243, 2013.

K. N.  Tayade, Mane, M. V., Sen, S., Murthy, C. N., Tembe, G. L., S. Pillai, M., Vanka, K., and Mukherjee, S., ?Catalytic and DFT study of selective ethylene oligomerization by nickel(II) oxime-based complexes?, Journal of Molecular Catalysis A-Chemical, vol. 366, pp. 238-246, 2013.

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.

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.

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.

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.

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.

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.

M. K.  Munshi, Gade, S. M., Mane, M. V., Mishra, D., Pal, S., Vanka, K., Rane, V. H., and Kelkar, A. A., ?1,8-Diazabicyclo[5.4.0]undec-7-ene (DBU): a highly efficient catalyst in glycerol carbonate synthesis?, Journal of Molecular Catalysis A-Chemical, vol. 391, pp. 144-149, 2014.

S.  Kadam and Vanka, K., ?Accounting of noise to solve the problem of negative populations in approximate accelerated stochastic simulations?, RSC Advances, vol. 4, no. 102, pp. 58127-58136, 2014.

V. S.  Shende, Shingote, S. K., Deshpande, S. H., Kuriakose, N., Vanka, K., and Kelkar, A. A., ?Asymmetric transfer hydrogenation of imines in water/methanol co-solvent system and mechanistic investigation by DFT study?, RSC Advances, vol. 4, no. 86, pp. 46351-46356, 2014.

A.  Pal and Vanka, K., ?Can silylenes rival transition metal systems in bond-strengthening pi-back donation? a computational investigation?, Chemical Communications, vol. 50, no. 62, pp. 8522-8525, 2014.

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.

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.

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.

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.

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.

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.

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.

M. V.  Mane, Rizvi, M. A., and Vanka, K., ?Computational study of metal free alcohol dehydrogenation employing frustrated lewis pairs?, Journal of Organic Chemistry, vol. 80, no. 4, pp. 2081-2091, 2015.

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.

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.

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.

R. L.  Gawade, Chakravarty, D. K., Kotmale, A., Sangtani, E., Joshi, P. V., Ahmed, A., Mane, M. V., Das, S., Vanka, K., Rajamohanan, P. R., Puranik, V. G., and Gonnade, R. G., ?Additive mediated syn-anti conformational tuning at nucleation to capture elusive polymorphs: remarkable role of extended pi-stacking interactions in driving the self-assembly?, Crystal Growth & Design, vol. 16, no. 4, pp. 2416-2428, 2016.

P. N.  Bagle, Mane, M. V., Vanka, K., Shinde, D. R., Shaikh, S. R., Gonnade, R. G., and Patil, N. T., ?Au(I)/Ag(I) co-operative catalysis: interception of Ag-bound carbocations with ?-gold(I) enals in the imino-alkyne cyclizations with N-allenamides?, Chemical Communications, vol. 52, pp. 14462-14465, 2016.

N.  Kuriakose and Vanka, K., ?Can main group systems act as superior catalysts for dihydrogen generation reactions? A computational investigation?, Dalton Transactions, vol. 45, no. 14, pp. 5968-5977, 2016.

A.  Halder, Kandambeth, S., Biswal, B. P., Kaur, G., Roy, N. Chaki, Addicoat, M. A., Salunke, J. K., Banerjee, S., Vanka, K., Heine, T., Verma, S., and Banerjee, R., ?Decoding the morphological diversity in two dimensional crystalline porous polymers by core planarity modulation?, Angewandte Chemie - International Edition, vol. 55, no. 27, pp. 7806-7810, 2016.

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.

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.

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.

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.

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.

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. 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.

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.

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.

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.

V. U. Bhaskar Rao, Kumar, K., Das, T., and Vanka, K., ?DBU-mediated diastereoselective aldol-type cyanomethylation of isatins?, Journal of Organic Chemistry, vol. 82, no. 8, pp. 4489-4496, 2017.

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.

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.

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.

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.

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.

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.

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.

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.

S.  Pahar, Karak, S., Pait, M., K. Raj, V., Vanka, K., and Sen, S. S., ?Access to silicon(II)- and germanium(II)-indium compounds?, Organometallics, vol. 37, no. 7, pp. 1206-1213, 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.

S.  Yadav, Dixit, R., Vanka, K., and Sen, S. S., ?Beyond hydrofunctionalisation: a well-defined calcium compound catalysed mild and efficient carbonyl cyanosilylation?, Chemistry-A European Journal, vol. 24, no. 6, pp. 1269-1273, 2018.

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.

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.

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.

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.

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.

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.

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. 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.  Jain and Vanka, K., ?Can the solvent enhance the rate of chemical reactions through C-H/pi interactions? insights from theory?, Physical Chemistry Chemical Physics, vol. 21, no. 27, pp. 14821-14831, 2019.

V.  Gupta, Sahu, D., Jain, S., Vanka, K., and Singh, R. P., ?Diastereoselective multi-component tandem condensation: synthesis of 2-amino-4-(2-furanone)-4H-chromene-3-carbonitriles?, Organic & Biomolecular Chemistry, vol. 17, no. 39, pp. 8853-8857, 2019.

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.

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.

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.

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.

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.

S.  Pahar, Swamy, V. S. V. S. N., Das, T., Gonnade, R. G., Vanka, K., and Sen, S. S., ?Access to diverse germylenes and a six-membered dialane with a flexible beta-diketiminate?, Chemical Communications, vol. 56, no. 79, pp. 11871-11874, 2020.

S.  Yadav, Kumar, R., K. Raj, V., Yadav, P., Vanka, K., and Sen, S. S., ?Amidinato germylene-zinc complexes: synthesis, bonding, and reactivity?, Chemistry-An Asian Journal, vol. 15, no. 19, pp. 3116-3121, 2020.

V.  Rysak, Dixit, R., Trivelli, X., Merle, N., Agbossou-Niedercorn, F., Vanka, K., and Michon, C., ?Catalytic reductive deoxygenation of esters to ethers driven by hydrosilane activation through non-covalent interactions with a fluorinated borate salt?, Catalysis Science & Technology, vol. 10, no. 14, pp. 4586-4592, 2020.

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.

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.

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.

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.

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.

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.

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.

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.

M. Nirshad Alam, Dash, S. Ranjan, Mukherjee, A., Pandole, S., Marelli, U. Kiran, Vanka, K., and Maity, P., ?[1,3]-Claisen rearrangement via removable functional group mediated radical stabilization?, Organic Letters, vol. 23, no. 3, pp. 890-895, 2021.

A.  Mukherjee, Ghule, S., and Vanka, K., ?Computational insights into the role of external and local electric fields in macrocyclic chemical and biological systems?, ChemPhysChem, vol. 22, no. 23, pp. 2484-2492, 2021.

R.  Kumar, Bisai, M. Kumar, Jain, S., Vanka, K., and Sen, S. S., ?Deoxygenative hydroboration of primary and secondary amides: a catalyst-free and solvent-free approach?, Chemical Communications, vol. 57, no. 81, pp. 10596-10599, 2021.

G.  Kundu, Ajithkumar, V. S., Bisai, M. Kumar, Tothadi, S., Das, T., Vanka, K., and Sen, S. S., ?Diverse reactivity of carbenes and silylenes towards fluoropyridines?, Chemical Communications, vol. 57, no. 36, pp. 4428-4431, 2021.

M. Kumar Bisai, Swamy, V. S. V. S. N., K. Raj, V., Vanka, K., and Sen, S. S., ?Diverse reactivity of hypersilylsilylene with boranes and threecomponent reactions with aldehyde and HBpin?, Inorganic Chemistry, vol. 60, no. 3, pp. 1654-1663, 2021.

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.

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.

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.

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.

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.  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.

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.

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.

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.

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.

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.

S.  Dey, Das, S., Patel, A., K. Raj, V., Vanka, K., and Manna, D., ?Antimicrobial two-dimensional covalent organic nanosheets (2D-CONs) for the fast and highly efficient capture and recovery of phosphate ions from water?, Journal of Materials Chemistry A, vol. 10, no. 9, pp. 4585-4593, 2022.

S.  Banerjee and Vanka, K., ?Computational insights into hydroboration with acyclic alpha-Borylamido-germylene and stannylene catalysts: Cooperative dual catalysis the key to system efficiency?, Polyhedron, vol. 222, p. 115907, 2022.

N. R.  Kakde, Bharathkumar, H. J., Wavhal, B. A., Nikam, A., Patil, S., Dash, S. Ranjan, Vanka, K., Krishnamoorthy, K., Kulkarni, A., and Asha, S. K., ?Direct (hetero)arylation (DHAP) polymerization of conjugated polymers - new A-B-A monomer design for P(NDI2OD-T2) & the challenges of adopting DHAP for continuous flow processes?, Journal of Materials Chemistry C, vol. 10, no. 36, pp. 13025-13039, 2022.

V. T.  Humne, Ghom, M. H., Naykode, M. S., Dangat, Y., Vanka, K., and Lokhande, P., ?Direct oxidation of bromo-derived Fischer-Borsche oxo-ring using molecular iodine with combined experimental and computational study?, Organic & Biomolecular Chemistry, vol. 20, no. 29, pp. 5726-5729, 2022.

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.

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.

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.

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.

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.

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.

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.

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 ?,?-unsaturated ketones for the regioselective assembly of chromanes?, Organic Chemistry Frontiers, vol. 9, no. 3, pp. 802-809, 2022.

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.

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.

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.

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.

K.  Gour, Pramanik, D., Dash, S. Ranjan, Tothadi, S., Vanka, K., and Sen, S. S., ?Activation of the olefinic C-H bond of NHC and NHO by perimidine-based silicon and germanium compounds?, Organometallics, vol. 42, no. 15, pp. 1909-1917, 2023.

B. P.  Mali, Dash, S. Ranjan, Annadhasan, M., Biswas, A., Manoj, K., Vanka, K., and Gonnade, R. G., ?Cocrystal approach to modulate the photoluminescent properties of a GFP chromophore analogue: role of halogen/hydrogen bonding in achieving a wide range of solid-state fluorescence emissions?, Crystal Growth & Design, vol. 23, no. 7, pp. 5052-5065, 2023.

K.  Balayan, Sharma, H., Vanka, K., Ravindranathan, S., Gonnade, R. G., and Sen, S. S., ?On the competition between six-membered and five-membered NHC towards alane centered ring expansion?, Chemical Communications, vol. 59, no. 55, pp. 8540-8543, 2023.

H.  Sharma, Tewari, T., Chikkali, S. H., and Vanka, K., ?Computational insights into the iron-catalyze d magnesium-me diate d hydroformylation of alkynes?, Journal of Organometallic Chemistry, vol. 986, p. 122621, 2023.

R.  Kumar, Sharma, V., Banerjee, S., Vanka, K., and Sen, S. S., ?Controlled reduction of isocyanates to formamides using monomeric magnesium?, Chemical Communications, vol. 59, no. 16, pp. 2255-2258, 2023.

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.

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.

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.

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.

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.

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.

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 ?-chlorocinnamaldehyde and 4-aminoantipyrine?, Journal of Molecular Structure, vol. 1289, p. 135928, 2023.

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.

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.

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.

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.

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.  Vinodkumar, Nakate, A. K., Sharma, H., Vanka, K., Krishna, G. Rama, and Kontham, R., ?Bronsted acid-promoted cyclodimerization of ?,?-unsaturated ?-ketoesters: construction of fused pyrano-ketal-lactones and ?-ylidene-butenolides?, ACS Omega, vol. 9, no. 18, pp. 19859-19878, 2024.

R. S.  Darole, Choudhary, S. Singh, Sharma, H., Mali, B. P., Gopu, B., Vanka, K., and Senthilkumar, B., ?Brønsted acid- and Ni(ii)-catalyzed C-H oxidation/rearrangement of cyclotriveratrylenes (CTVs) to cyclic and acyclic quinones as potential anti-cancer agents?, Organic and biomolecular chemistry, vol. 22, no. 5, pp. 1038-1046, 2024.

A.  Singh, Singh, A. Kumar, Dixit, R., Vanka, K., Krishnamoorthy, K., and Nithyanandhan, J., ?Effect of position of donor units and alkyl groups on dye-sensitized solar cell device performance: indoline-aniline donor-based visible light active unsymmetrical squaraine dyes?, ACS Om., vol. 9, no. 14, pp. 16429-16442, 2024.

S. Ranjan Dash and Vanka, K., ?Exploring unconventional ?-hole interactions: computational insights into the interaction of XeO3 with non-aromatic coordinating solvents?, Chemphyschem, vol. 25, 2024.

A.  Sen, Tewari, T., Kumar, R., Vinod, C. P., Sharma, H., Vanka, K., and Chikkali, S. H., ?Iron-catalyzed (E)-selective hydrosilylation of alkynes: scope and mechanistic insights?, Catalysis Science and Technology, vol. 14, no. 10, 2024.

R.  Kumar, Mahata, B., Gayathridevi, S., K. Raj, V., Vanka, K., and Sen, S. S., ?Lanthanide mimicking by magnesium for oxazolidinone synthesis?, Chemistry- a european journal, vol. 30, no. 4, 2024.

M.  Subaramanian, Padhy, S. Sukanya, Gouda, C., Das, T., Vanka, K., and Balaraman, E., ?Nickel-catalyzed tandem conversion of paraformaldehyde : methanol to hydrogen and formate/chemo- and stereoselective hydrogenation of alkynes under neutral conditions?, Catalysis Science and Technology , vol. 14, no. 10, pp. 2779-2793, 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.

S. Ranjan Dash, Sharma, H., Tiwari, M. K., Greb, L., and Vanka, K., ?Size matters: computational insights into the crowning of noble gas trioxides?, Inorganic Chemistry, vol. 63, pp. 4099-4107, 2024.

S.  Pahar, Sharma, V., K. Raj, V., Sangole, M. P., George, C. P., Singh, K., Vanka, K., Gonnade, R. G., and Sen, S. S., ?Tridentate NacNac tames T-shaped nickel(I) radical?, Chemistry- a european journal, vol. 30, no. 12, 2024.

A.  Singh, Singh, A. Kumar, Dixit, R., Vanka, K., Krishnamoorthy, K., and Nithyanandhan, J., ?Visible, far-red, and near-infrared active unsymmetrical squaraine dyes based on extended conjugation within the polymethine framework for dye-sensitized solar cells?, ACS Applied Energy Materials, vol. 7, no. 4, pp. 1461-1475, 2024.