biblio
, “Multiple weak supramolecular interactions stabilize a surprisingly twisted As2L3 assembly”, Chemical Communications, no. 33, pp. 3936 - 3938, 2008.
, “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.
, “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.
, “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.
, “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.
, “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.
, “Thermal epimerization of inositol 1,3-benzylidene acetals in the molten state”, Tetrahedron, vol. 67, no. 38, pp. 7280-7288, 2011.
, “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.
, “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.
, “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.
, “Radical mediated deoxygenation of inositol benzylidene acetals: conformational analysis, DFT calculations, and mechanism”, Carbohydrate Research, vol. 351, pp. 26-34, 2012.
, “Theoretical study of metal-metal cooperativity in the homogeneous water gas shift reaction”, Inorganic Chemistry, vol. 51, no. 1, pp. 377-385, 2012.
, “Can molecular cages be effective at small molecule activation? a computational investigation”, Inorganic Chemistry, vol. 52, no. 8, pp. 4238-4243, 2013.
, “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.
, “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.
, “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.
, “Metal or nonmetal cooperation with a phenyl group: route to catalysis? a computational investigation”, ACS Catalysis, vol. 3, no. 5, pp. 920-927, 2013.
, “Proposing late transition metal complexes as frustrated Lewis pairs - a computational investigation”, Dalton Transactions, vol. 42, no. 38, pp. 13866-13873, 2013.
, “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.
, “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.
, “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.
, “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.
, “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.
, “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.
, “Donor decomposition by lewis acids in Ziegler-Natta catalyst systems: a computational investigation”, Organometallics, vol. 33, no. 17, pp. 4357-4367, 2014.
, “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.
, “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.
, “New insights into small molecule activation by acyclic silylenes: a computational investigation”, Dalton Transactions, vol. 43, no. 5, pp. 2194-2201, 2014.
, “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.
, “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.
, “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.
, “Computational study of metal free alcohol dehydrogenation employing frustrated lewis pairs”, Journal of Organic Chemistry, vol. 80, no. 4, pp. 2081-2091, 2015.
, “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.
, “Mechanism of oxygen atom transfer from Fe-V(O) to olefins at room temperature”, Inorganic Chemistry, vol. 54, no. 13, pp. 6112-6121, 2015.
, “Silica microspheres containing high density surface hydroxyl groups as efficient epoxidation catalysts”, RSC Advances, vol. 5, no. 27, pp. 21125-21131, 2015.
, “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.
, “Au(I)/Ag(I) co-operative catalysis: interception of Ag-bound carbocations with α-gold(I) enals in the imino-alkyne cyclizations with N-allenamides”, Chemical Communications, vol. 52, pp. 14462-14465, 2016.
, “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.
, “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.
, “Effect of donors on the activation mechanism in ziegler-natta catalysis: a computational study”, Chemcatchem, vol. 8, no. 10, pp. 1809-1818, 2016.
, “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.
, “Exploring activity differences between the hydroformylation catalysts: Insights from theory”, Journal of Organometallic Chemistry, vol. 801, pp. 30-41, 2016.
, “Exploring the reducing role of boron: added insights from theory”, Dalton Transactions, vol. 45, no. 14, pp. 5978-5988, 2016.
, “Facile access to a Ge(II) dication stabilized by isocyanides”, Chemical Communications, vol. 52, no. 50, pp. 7890-7892, 2016.
, “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.
, “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.
, “Reductive nitrosylation of nickel(II) complex by nitric oxide followed by nitrous oxide release”, Dalton Transactions, vol. 45, no. 25, pp. 10200-10208, 2016.
, “Small molecule activation by constrained phosphorus compounds: insights from theory”, Inorganic Chemistry, vol. 55, no. 2, pp. 558-565, 2016.
, “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.
, “DBU-mediated diastereoselective aldol-type cyanomethylation of isatins”, Journal of Organic Chemistry, vol. 82, no. 8, pp. 4489-4496, 2017.
, “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.
, “Exploiting directional long range secondary forces for regulating electrostatics dominated noncovalent interactions”, Chemical Science, vol. 8, no. 2, pp. 1378-1390, 2017.
, “Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks”, Chemical Communications, vol. 53, no. 26, pp. 3705-3708, 2017.
, “Mixed-stack charge transfer crystals of pillar[5]quinone and tetrathiafulvalene exhibiting ferroelectric features”, Chemistry- A European Journal , vol. 23, no. 51, 2017.
, “Molecular motifs for additives that retard PEO crystallization”, Polymer Engineering & Science, vol. 57, no. 8, pp. 857-864, 2017.
, “Porous porphyrin organic polymer (PPOP) for visible light triggered hydrogen production”, Chemical Communications, vol. 53, no. 32, pp. 4461-4464, 2017.
, “ 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.
, “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.
, “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.
, “Access to silicon(II)- and germanium(II)-indium compounds”, Organometallics, vol. 37, no. 7, pp. 1206-1213, 2018.
, “B(C6F5)(3): catalyst or initiator? insights from computational studies into surrogate silicon chemistry”, ACS Catalysis, vol. 8, no. 7, pp. 6163-6176, 2018.
, “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.
, “Easily accessible lithium compound catalyzed mild and facile hydroboration and cyanosilylation of aldehydes and ketones”, Chemical Communications, vol. 54, no. 50, 2018.
, “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.
, “Mechanism of nickel(II)-catalyzed C(2)-H alkynylation of indoles with alkynyl bromide”, Organometallics, vol. 37, no. 13, pp. 2037-2045, 2018.
, “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.
, “Mechano-responsive room temperature luminescence variations of boron conjugated pyrene in air”, Chemical Communications, vol. 54, no. 47, pp. 6028-6031, 2018.
, “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.
, “ Twelve-armed hexaphenylbenzene-based giant supramolecular framework for entrapping guest molecules”, ChemPlusChem, vol. 83, no. 11, pp. 1032-1037, 2018.
, “Understanding interactions between lignin and ionic liquids with experimental and theoretical studies during catalytic depolymerisation”, Catalysis Today, vol. 309, pp. 98-108, 2018.
, “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.
, “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.
, “Insights into the origin of life: did it begin from HCN and H2O?”, Acs Central Science, vol. 5, no. 9, pp. 1532-1540, 2019.
, “Lithium compounds as single site catalysts for hydroboration of alkenes and alkynes”, Chemical Communications, vol. 55, no. 78, pp. 11711-11714, 2019.
, “Metal-free regioselective cross dehydrogenative coupling of cyclic ethers and aryl carbonyls”, Journal of Organic Chemistry, vol. 84, no. 4, pp. 2039-2047, 2019.
, “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.
, “ Synthesis and reactivity of a hypersilylsilylene ”, Inorganic chemistry, vol. 58, no. 16, pp. 10536-10542, 2019.
, “Access to diverse germylenes and a six-membered dialane with a flexible beta-diketiminate”, Chemical Communications, vol. 56, no. 79, pp. 11871-11874, 2020.
, “Amidinato germylene-zinc complexes: synthesis, bonding, and reactivity”, Chemistry-An Asian Journal, vol. 15, no. 19, pp. 3116-3121, 2020.
, “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.
, “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.
, “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.
, “Highly efficient chemoselective N-tert butoxycarbonylation of aliphatic/aromatic/heterocyclic amines using diphenylglycoluril as organocatalyst”, Tetrahedron, vol. 76, no. 23, p. 131223, 2020.
, “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.
, “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.
, “Tris-heteroleptic ruthenium(II) polypyridyl complexes: Synthesis, structural characterization, photophysical, electrochemistry and biological properties”, Journal of Inorganic Biochemistry, vol. 203, p. 110903, 2020.
, “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.
, “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.
, “[1,3]-Claisen rearrangement via removable functional group mediated radical stabilization”, Organic Letters, vol. 23, no. 3, pp. 890-895, 2021.
, “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.
, “Deoxygenative hydroboration of primary and secondary amides: a catalyst-free and solvent-free approach”, Chemical Communications, vol. 57, no. 81, pp. 10596-10599, 2021.
, “Diverse reactivity of carbenes and silylenes towards fluoropyridines”, Chemical Communications, vol. 57, no. 36, pp. 4428-4431, 2021.
, “Diverse reactivity of hypersilylsilylene with boranes and threecomponent reactions with aldehyde and HBpin”, Inorganic Chemistry, vol. 60, no. 3, pp. 1654-1663, 2021.
, “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.
, “Gold-catalyzed complementary nitroalkyne internal redox process: a DFT study”, Frontiers in Chemistry, vol. 9, p. 689780, 2021.
, “Insights into chemical reactions at the beginning of the universe: from HeH+ to H-3 (+)”, Frontiers in Chemistry, vol. 9, p. 679750, 2021.
, “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.
, “Lithium compound catalyzed deoxygenative hydroboration of primary, secondary and tertiary amides”, Dalton Transactions, vol. 50, no. 7, pp. 2354-2358, 2021.
, “Phosphite mediated asymmetric N to C migration for the synthesis of chiral heterocycles from primary amines”, Chemical Science, vol. 12, pp. 8996-9003, 2021.
, “Readily available lithium compounds as catalysts for the hydroboration of carbodiimides and esters”, Journal of Organometallic Chemistry, vol. 949, p. 121924, 2021.