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Unnikrishnan, Anju ; Sunoj, Raghavan B. (2021) Iridium-Catalyzed Regioselective Borylation through C–H Activation and the Origin of Ligand-Dependent Regioselectivity Switching Journal of Organic Chemistry, 86 (21). pp. 15618-15630. ISSN 0022-3263

Pareek, Monika ; Sunoj, Raghavan B. (2021) Mechanistic insights into rhodium-catalyzed enantioselective allylic alkylation for quaternary stereogenic centers Chemical Science, 12 (7). pp. 2527-2539. ISSN 2041-6520

Das, Manajit ; Gogoi, Achyut Ranjan ; Sunoj, Raghavan B. (2021) Molecular Insights on Solvent Effects in Organic Reactions as Obtained through Computational Chemistry Tools Journal of Organic Chemistry . ISSN 0022-3263

Tribedi, Soumi ; Kitaura, Kazuo ; Nakajima, Takahito ; Sunoj, Raghavan B. (2021) On the question of steric repulsion versus noncovalent attractive interactions in chiral phosphoric acid catalyzed asymmetric reactions Physical Chemistry Chemical Physics, 23 (34). pp. 18936-18950. ISSN 1463-9076

Sunoj, Raghavan B. (2021) Perspective Coming of Age of Computational Chemistry from a Resilient Past to a Promising Future Israel Journal of Chemistry . ISSN 0021-2148

Pareek, Monika ; Reddi, Yernaidu ; Sunoj, Raghavan B. (2021) Tale of the Breslow intermediate, a central player in N-heterocyclic carbene organocatalysis: then and now Chemical Science, 12 (23). pp. 7973-7992. ISSN 2041-6520

Pareek, Monika ; Sunoj, Raghavan B. (2020) Energetics of Dynamic Kinetic Asymmetric Transformation in Suzuki–Miyaura Coupling ACS Catalysis, 10 (7). pp. 4349-4360. ISSN 2155-5435

Changotra, Avtar ; Bhaskararao, Bangaru ; Hadad, Christopher M. ; Sunoj, Raghavan B. (2020) Insights on Absolute and Relative Stereocontrol in Stereodivergent Cooperative Catalysis Journal of the American Chemical Society . ISSN 0002-7863

Bhaskararao, Bangaru ; Singh, Sukriti ; Anand, Megha ; Verma, Pritha ; Prakash, Prafull ; C, Athira ; Malakar, Santanu ; Schaefer, Henry F. ; Sunoj, Raghavan B. (2020) Is silver a mere terminal oxidant in palladium catalyzed C–H bond activation reactions? Chemical Science, 11 (1). pp. 208-216. ISSN 2041-6520

Bag, Sukdev ; K, Surya ; Mondal, Arup ; Jayarajan, Ramasamy ; Dutta, Uttam ; Porey, Sandip ; Sunoj, Raghavan B. ; Maiti, Debabrata (2020) Palladium-Catalyzed meta-C–H Allylation of Arenes: A Unique Combination of a Pyrimidine-Based Template and Hexafluoroisopropanol Journal of the American Chemical Society, 142 (28). pp. 12453-12466. ISSN 0002-7863

Chen, Yan-Qiao ; Singh, Sukriti ; Wu, Yongwei ; Wang, Zhen ; Hao, Wei ; Verma, Pritha ; Qiao, Jennifer X. ; Sunoj, Raghavan B. ; Yu, Jin-Quan (2020) Pd-Catalyzed γ-C(sp3)–H Fluorination of Free Amines Journal of the American Chemical Society, 142 (22). pp. 9966-9974. ISSN 0002-7863

Singh, Sukriti ; Pareek, Monika ; Changotra, Avtar ; Banerjee, Sayan ; Bhaskararao, Bangaru ; Balamurugan, P. ; Sunoj, Raghavan B. (2020) A unified machine-learning protocol for asymmetric catalysis as a proof of concept demonstration using asymmetric hydrogenation PNAS, 117 (3). pp. 1339-1345. ISSN 0027-8424

Sreedhar, Dilna B. ; Sunoj, Raghavan B. (2019) Cooperativity and serial ligand catalysis in an allylic amination reaction by Pd(ii)-bis-sulfoxide and Brønsted acids Organic and Biomolecular Chemistry, 17 (33). pp. 7723-7734. ISSN 1477-0520

Reddi, Yernaidu ; Tsai, Cheng-Che ; Avila, Carolina M. ; Toste, F. Dean ; Sunoj, Raghavan B. (2019) Harnessing Noncovalent Interactions in Dual-Catalytic Enantioselective Heck–Matsuda Arylation Journal of the American Chemical Society, 141 (2). pp. 998-1009. ISSN 0002-7863

Sreenithya, A. ; Hadad, Christopher M. ; Sunoj, Raghavan B. (2019) Hypercoordinate iodine for catalytic asymmetric diamination of styrene: insights into the mechanism, role of solvent, and stereoinduction Chemical Science, 10 (29). pp. 7082-7090. ISSN 2041-6520

Unnikrishnan, Anju ; Sunoj, Raghavan B. (2019) Insights into the role of noncovalent interactions in distal functionalization of the aryl C(sp2)–H bond Chemical Science, 10 (13). pp. 3826-3835. ISSN 2041-6520

Singh, Sukriti ; Sunoj, Raghavan B. (2019) Mechanism and Origin of Enantioselectivity in Nickel-Catalyzed Alkyl–Alkyl Suzuki Coupling Reaction Journal of Physical Chemistry A, 123 (31). pp. 6701-6710. ISSN 1089-5639

Sreenithya, A. ; Sunoj, Raghavan B. (2019) On the activation of hypercoordinate iodine(iii) compounds for reactions of current interest Dalton Transactions, 48 (13). pp. 4086-4093. ISSN 1477-9226

Kisan, Hemanta K. ; Sunoj, Raghavan B. (2018) Insights on the Origin of Regiodivergence in the Parallel Kinetic Resolution of rac-Aziridines Using a Chiral Lanthanum–Yttrium Bimetallic Catalyst ACS Catalysis, 8 (8). pp. 7633-7644. ISSN 2155-5435

Banerjee, Sayan ; Sreenithya, A. ; Sunoj, Raghavan B. (2018) Machine learning for predicting product distributions in catalytic regioselective reactions Physical Chemistry Chemical Physics, 20 (27). pp. 18311-18318. ISSN 1463-9076

Maji, Arun ; Reddi, Yernaidu ; Sunoj, Raghavan B. ; Maiti, Debabrata (2018) Mechanistic Insights on Orthogonal Selectivity in Heterocycle Synthesis ACS Catalysis, 8 (11). pp. 10111-10118. ISSN 2155-5435

Tribedi, Soumi ; Hadad, Christopher M. ; Sunoj, Raghavan B. (2018) Origin of stereoselectivity in the amination of alcohols using cooperative asymmetric dual catalysis involving chiral counter-ions Chemical Science, 9 (28). pp. 6126-6133. ISSN 2041-6520

Athira, C. ; Changotra, Avtar ; Sunoj, Raghavan B. (2018) Rhodium Catalyzed Asymmetric Hydroamination of Internal Alkynes with Indoline: Mechanism, Origin of Enantioselectivity, and Role of Additives Journal of Organic Chemistry, 83 (5). pp. 2627-2639. ISSN 0022-3263

Bhaskararao, Bangaru ; Sunoj, Raghavan B. (2018) Two chiral catalysts in action: insights into cooperativity and stereoselectivity in proline and cinchona-thiourea dual organocatalysis Chemical Science, 9 (46). pp. 8738-8747. ISSN 2041-6520

Malakar, Santanu ; Shree Sowndarya, S. V. ; Sunoj, Raghavan B. (2018) A quantification scheme for non-covalent interactions in the enantio-controlling transition states in asymmetric catalysis Organic and Biomolecular Chemistry, 16 (31). pp. 5643-5652. ISSN 1477-0520

Sreenithya, A. ; Surya, K. ; Sunoj, Raghavan B. (2017) Hypercoordinate iodine (III) promoted reactions and catalysis: an update on current mechanistic understanding Wiley Interdisciplinary Reviews: Computational Molecular Science, 7 (3). Article ID e1299. ISSN 1759-0876

Avila, Carolina M. ; Patel, Jigar S. ; Reddi, Yernaidu ; Saito, Masato ; Nelson, Hosea M. ; Shunatona, Hunter P. ; Sigman, Matthew S. ; Sunoj, Raghavan B. ; Toste, F. Dean (2017) Enantioselective Heck-Matsuda arylations through chiral anion phase-transfer of aryl diazonium salts Angewandte Chemie International Edition, 56 (21). pp. 5806-5811. ISSN 1433-7851

Dutta, Uttam ; Modak, Atanu ; Bhaskararao, Bangaru ; Bera, Milan ; Bag, Sukdev ; Mondal, Anirban ; Lupton, David W. ; Sunoj, Raghavan B. ; Maiti, Debabrata (2017) Catalytic arene meta-C–H functionalization exploiting a quinoline-based template ACS Catalysis, 7 (5). pp. 3162-3168. ISSN 2155-5435

Sreenithya, A. ; Patel, Chandan ; Hadad, Christopher M. ; Sunoj, Raghavan B. (2017) Hypercoordinate iodine catalysts in enantioselective transformation: the role of catalyst folding in stereoselectivity ACS Catalysis, 7 (6). pp. 4189-4196. ISSN 2155-5435

Reddi, Yernaidu ; Sunoj, Raghavan B. (2017) Origin of stereoselectivity in cooperative asymmetric catalysis involving N-heterocyclic carbenes and Lewis acids toward the synthesis of spirooxindole lactone ACS Catalysis, 7 (1). pp. 530-537. ISSN 2155-5435

Changotra, Avtar ; Das, Sandip ; Sunoj, Raghavan B. (2017) Reversing enantioselectivity using noncovalent interactions in asymmetric dearomatization of β-naphthols: the power of 3,3′ substituents in chiral phosphoric acid catalysts Organic Letters, 19 (9). pp. 2354-2357. ISSN 1523-7060

Athira, C. ; Sunoj, Raghavan B. (2017) Role of Lewis acid additives in a palladium catalyzed directed C–H functionalization reaction of benzohydroxamic acid to isoxazolone Organic and Biomolecular Chemistry, 15 (1). pp. 246-255. ISSN 1477-0520

Vallavoju, Nandini ; Sreenithya, Avadakkam ; Ayitou, Anoklase J. L. ; Jockusch, Steffen ; Sunoj, Raghavan B. ; Sivaguru, Jayaraman (2016) Photoreactions with a twist: atropisomerism-driven divergent reactivity of enones with UV and visible light Chemistry - A European Journal, 22 (32). pp. 11339-11348. ISSN 0947-6539

Kisan, Hemanta K. ; Sunoj, Raghavan B. (2016) Asymmetric cooperative catalysis in a three-component reaction: mechanism and origin of enantio- and diastereoselectivities Organic Letters, 18 (15). pp. 3746-3749. ISSN 1523-7060

Pareek, Monika ; Sunoj, Raghavan B. (2016) Cooperative asymmetric catalysis by N-heterocyclic carbenes and Bronsted acid in γ-lactam formation: insights into mechanism and stereoselectivity ACS Catalysis, 6 (5). pp. 3118-3126. ISSN 2155-5435

Maji, Arun ; Bhaskararao, Bangaru ; Singha, Santanu ; Sunoj, Raghavan B. ; Maiti, Debabrata (2016) Directing group assisted meta-hydroxylation by C–H activation Chemical Science, 7 (5). pp. 3147-3153. ISSN 2041-6520

Paul, Mathias ; Breugst, Martin ; Neudörfl, Jorg-Martin ; Sunoj, Raghavan B. ; Berkessel, Albrecht (2016) Keto–Enol thermodynamics of Breslow intermediates Journal of the American Chemical Society, 138 (15). pp. 5044-5051. ISSN 0002-7863

Pareek, Monika ; Sunoj, Raghavan B. (2016) Mechanism and stereoselectivity in an asymmetric N-heterocyclic carbene-catalyzed carbon–carbon bond activation reaction Organic Letters, 18 (22). pp. 5932-5935. ISSN 1523-7060

Patel, Chandan ; Abraham, Vibin ; Sunoj, Raghavan B. (2016) Mechanistic insights and the origin of regioselective borylation in an iridium-catalyzed alkyl C(sp³)–H bond functionalization Organometallics, 36 (1). pp. 151-158. ISSN 0276-7333

Changotra, Avtar ; Sunoj, Raghavan B. (2016) Origin of kinetic resolution of hydroxy esters through catalytic enantioselective lactonization by chiral phosphoric acids Organic Letters, 18 (15). pp. 3730-3733. ISSN 1523-7060

Anand, Megha ; Sunoj, Raghavan B. ; Schaefer, Henry F. (2016) Palladium–silver cooperativity in an aryl amination reaction through C–H functionalization ACS Catalysis, 6 (2). pp. 696-708. ISSN 2155-5435

Sunoj, Raghavan B. (2016) Transition state models for understanding the origin of chiral induction in asymmetric catalysis Accounts of Chemical Research, 49 (5). pp. 1019-1028. ISSN 0001-4842

Kumarasamy, Elango ; Raghunathan, Ramya ; Kandappa, Sunil Kumar ; Sreenithya, A. ; Jockusch, Steffen ; Sunoj, Raghavan B. ; Sivaguru, J. (2016) Transposed Paterno–Buchi reaction Journal of the American Chemical Society, 139 (2). pp. 655-662. ISSN 0002-7863

Kaur-Ghumaan, Sandeep ; Sreenithya, A. ; Sunoj, Raghavan B. (2015) Synthesis, characterization and DFT studies of 1, 1′-Bis(diphenylphosphino)ferrocene substituted diiron complexes: bioinspired [FeFe] hydrogenase model complexes Journal of Chemical Sciences, 127 (3). pp. 557-563. ISSN 0974-3626

Reddi, Yernaidu ; Sunoj, Raghavan B. (2015) Asymmetric dual-catalytic cascade by chiral N-heterocyclic carbene and quinuclidine: mechanism and origin of enantioselectivity in benzofuranone formation ACS Catalysis, 5 (3). pp. 1596-1603. ISSN 2155-5435

Kisan, Hemanta K. ; Sunoj, Raghavan B. (2015) Axial coordination dichotomy in dirhodium carbenoid catalysis: a curious case of cooperative asymmetric dual-catalytic approach toward amino esters The Journal of Organic Chemistry, 80 (4). pp. 2192-2197. ISSN 0022-3263

Jindal, Garima ; Sunoj, Raghavan B. (2015) Deciphering the origin of stereoinduction in cooperative asymmetric catalysis involving Pd(II) and a chiral Bronsted acid Organic Letters, 17 (12). pp. 2874-2877. ISSN 1523-7060

Jindal, Garima ; Kisan, Hemanta K. ; Sunoj, Raghavan B. (2015) Mechanistic insights on cooperative catalysis through computational quantum chemical methods ACS Catalysis, 5 (2). pp. 480-503. ISSN 2155-5435

Reddi, Yernaidu ; Sunoj, Raghavan B. (2015) Mechanistic studies on stereoselective organocatalytic direct β-C–H activation in an aliphatic chain by chiral N-heterocyclic carbenes ACS Catalysis, 5 (10). pp. 5794-5802. ISSN 2155-5435

Bhaskararao, Bangaru ; Sunoj, Raghavan B. (2015) Origin of stereodivergence in cooperative asymmetric catalysis with simultaneous involvement of two chiral catalysts Journal of the American Chemical Society, 137 (50). pp. 15712-15722. ISSN 0002-7863

Kumar, Pawan ; Kashid, Vitthalrao S. ; Reddi, Yernaidu ; Mague, Joel T. ; Sunoj, Raghavan B. ; Balakrishna, Maravanji S. (2015) A phosphomide based PNP ligand, 2,6-{Ph₂PC(O)}₂(C₅H₃N), showing PP, PNP and PNO coordination modes Dalton Transactions, 44 (9). pp. 4167-4179. ISSN 1477-9226

Jindal, Garima ; Sunoj, Raghavan B. (2014) Axially chiral imidodiphosphoric acid catalyst for asymmetric sulfoxidation reaction: insights on asymmetric induction Angewandte Chemie International Edition, 53 (17). pp. 4432-4436. ISSN 1433-7851

Kisan, Hemanta K. ; Sunoj, Raghavan B. (2014) Deciphering the origin of cooperative catalysis by dirhodium acetate and chiral spiro phosphoric acid in an asymmetric amination reaction Chemical Communications, 50 (93). pp. 14639-14642. ISSN 1359-7345

Jindal, Garima ; Sunoj, Raghavan B. (2014) Importance of ligand exchanges in Pd(II)-Bronsted acid cooperative catalytic approach to spirocyclic rings Journal of the American Chemical Society, 136 (45). pp. 15998-16008. ISSN 0002-7863

Jindal, Garima ; Sunoj, Raghavan B. (2014) Mechanistic insights on cooperative asymmetric multicatalysis using chiral counterions The Journal of Organic Chemistry, 79 (16). pp. 7600-7606. ISSN 0022-3263

Sreenithya, A. ; Sunoj, Raghavan B. (2014) Mechanistic insights on iodine (III) promoted metal-free dual C–H activation involved in the formation of a spirocyclic bis-oxindole Organic Letters, 16 (23). pp. 6224-6227. ISSN 1523-7060

Anand, Megha ; Sunoj, Raghavan B. ; Schaefer, Henry F. (2014) Non-innocent additives in a palladium (II)-catalyzed C–H bond activation reaction: insights into multimetallic active catalysts Journal of the American Chemical Society, 136 (15). pp. 5535-5538. ISSN 0002-7863

Jindal, Garima ; Sunoj, Raghavan B. (2014) Rational design of catalysts for asymmetric diamination reaction using transition state modeling Organic and Biomolecular Chemistry, 12 (17). pp. 2745-2753. ISSN 1477-0520

Sharma, Akhilesh K. ; Roy, Dipankar ; Sunoj, Raghavan B. (2014) The mechanism of catalytic methylation of 2-phenylpyridine using di-tert-butyl peroxide Dalton Transactions, 43 (26). pp. 10183-10201. ISSN 1477-9226

Verma, Pritha ; Verma, Pragya ; Sunoj, Raghavan B. (2014) The mechanism of the NHC catalyzed aza-Morita–Baylis–Hillman reaction: insights into a new substrate-catalyzed bimolecular pathway Organic and Biomolecular Chemistry, 12 (14). pp. 2176-2179. ISSN 1477-0520

Katayev, Dmitry ; Jia, Yi-Xia ; Sharma, Akhilesh K. ; Banerjee, Dipshikha ; Besnard, Celine ; Sunoj, Raghavan B. ; Peter Kundig, E. (2013) Synthesis of 3,3-disubstituted oxindoles by palladium-catalyzed asymmetric intramolecular α-arylation of amides: reaction development and mechanistic studies Chemistry - A European Journal, 19 (36). pp. 11916-11927. ISSN 0947-6539

Thawani, Akanksha ; Rajeev, Ramanan ; Sunoj, Raghavan B. (2013) On the mechanism of the dehydroaromatization of hexane to benzene by an iridium pincer catalyst Chemistry - A European Journal, 19 (12). pp. 4069-4077. ISSN 0947-6539

Kolay, Siddhartha ; Wadawale, Amey ; Das, Dasarathi ; Kisan, Hemanta K. ; Sunoj, Raghavan B. ; Jain, Vimal K. (2013) Cyclopalladation of dimesityl selenide: synthesis, reactivity, structural characterization, isolation of an intermediate complex with C–H⋯Pd intra-molecular interaction and computational studies Dalton Transactions, 42 (30). pp. 10828-10837. ISSN 1477-9226

Rajeev, Ramanan ; Sunoj, Raghavan B. (2013) Mechanism and stereoselectivity of biologically important oxygenation reactions of the 7-dehydrocholesterol radical Journal of Organic Chemistry, 78 (14). pp. 7023-7029. ISSN 0022-3263

Parija, Abhishek ; Sunoj, Raghavan B. (2013) Mechanism of catalytic functionalization of primary C–H bonds using a silylation strategy Organic Letters, 15 (16). pp. 4066-4069. ISSN 1523-7060

Kuniyil, Rositha ; Sunoj, Raghavan B. (2013) N-heterocyclic carbene catalyzed asymmetric intermolecular stetter reaction: origin of enantioselectivity and role of counterions Organic Letters, 15 (19). pp. 5040-5043. ISSN 1523-7060

Kumar, Pawan ; Siddiqui, Mujahuddin M. ; Reddi, Yerrnaidu ; Mague, Joel T. ; Sunoj, Raghavan B. ; Balakrishna, Maravanji S. (2013) New bisphosphomide ligands, 1,3-phenylenebis((diphenylphosphino)methanone) and (2-bromo-1,3-phenylene)bis((diphenylphosphino)methanone): synthesis, coordination behavior, DFT calculations and catalytic studies Dalton Transactions, 42 (32). pp. 11385-11399. ISSN 1477-9226

Kumari, Manju ; Sunoj, Raghavan B. ; Balaji, Petety V. (2012) Exploration of CH⋯π mediated stacking interactions in saccharide: aromatic residue complexes through conformational sampling Carbohydrate Research, 361 . pp. 133-140. ISSN 0008-6215

Jindal, Garima ; Sunoj, Raghavan B. (2012) Mechanistic insights into the role of chiral ligands in asymmetric diamination reactions Chemistry - A European Journal, 18 (23). pp. 7045-7049. ISSN 0947-6539

Kumari, Manju ; Sunoj, Raghavan B. ; Balaji, Petety V. (2012) Conformational mapping and energetics of saccharide–aromatic residue interactions: implications for the discrimination of anomers and epimers and in protein engineering Organic and Biomolecular Chemistry, 10 (21). pp. 4186-4200. ISSN 1477-0520

Anand, Megha ; Sunoj, Raghavan B. (2012) Mechanism of cooperative catalysis in a lewis acid promoted nickel-catalyzed dual C–H activation reaction Organic Letters, 14 (17). pp. 4584-4587. ISSN 1523-7060

Sengupta, Arkajyoti ; Sunoj, Raghavan B. (2012) Mechanistic insights on organocatalytic enantioselective decarboxylative protonation by epicinchona-thiourea hybrid derivatives Journal of Organic Chemistry, 77 (23). pp. 10525-10536. ISSN 0022-3263

Rajeev, Ramanan ; Sunoj, Raghavan B. (2012) Mechanistic insights on platinum and palladium-pincer catalyzed coupling and cyclopropanation reactions between olefins Dalton Transactions, 41 (27). pp. 8430-8440. ISSN 1477-9226

Sunoj, Raghavan B. ; Anand, Megha (2012) Microsolvated transition state models for improved insight into chemical properties and reaction mechanisms Physical Chemistry Chemical Physics, 14 (37). pp. 12715-12736. ISSN 1463-9076

Sreenithya, A. ; Sunoj, Raghavan B. (2012) Noninnocent role of N-methyl pyrrolidinone in thiazolidinethione-promoted asymmetric aldol reactions Organic Letters, 14 (22). pp. 5752-5755. ISSN 1523-7060

Rajeev, Ramanan ; Sunoj, Raghavan B. (2012) On the origin of regio and stereoselectivity in singlet oxygen addition to enecarbamates Journal of Organic Chemistry, 77 (5). pp. 2474-2485. ISSN 0022-3263

Reddi, Yernaidu ; Sunoj, Raghavan B. (2012) Origin of stereoselectivity in a chiral N-heterocyclic carbene-catalyzed desymmetrization of substituted cyclohexyl 1,3-diketones Organic Letters, 14 (11). pp. 2810-2813. ISSN 1523-7060

Sharma, Akhilesh K. ; Sunoj, Raghavan B. (2012) Refined transition-state models for proline-catalyzed asymmetric michael reactions under basic and base-free conditions Journal of Organic Chemistry, 77 (23). pp. 10516-10524. ISSN 0022-3263

Jindal, Garima ; Sunoj, Raghavan B. (2012) Revisiting sesquiterpene biosynthetic pathways leading to santalene and its analogues: a comprehensive mechanistic study Organic and Biomolecular Chemistry, 10 (39). pp. 7996-8006. ISSN 1477-0520

Anand, Megha ; Sunoj, Raghavan B. (2012) Role of explicit solvents in palladium (II)-catalyzed alkoxylation of arenes: an interesting paradigm for preferred outer-sphere reductive elimination over inner-sphere pathway Organometallics, 31 (17). pp. 6466-6481. ISSN 0276-7333

Sunoj, Raghavan B. (2011) Proline-derived organocatalysis and synergism between theory and experiments Wiley Interdisciplinary Reviews: Computational Molecular Science, 1 (6). pp. 920-931. ISSN 1759-0876

Janardanan, Deepa ; Sunoj, Raghavan B. (2011) Chemo-, regio- and diastereoselectivity preferences in the reaction of a sulfur ylide with a dienal and an enone Organic and Biomolecular Chemistry, 9 (5). pp. 1642-1652. ISSN 1477-0520

Rajeev, Ramanan ; Sunoj, Raghavan B. (2011) Mechanism and electronic effects in nitrogen ylide-promoted asymmetric aziridination reaction Organic and Biomolecular Chemistry, 9 (7). pp. 2123-2132. ISSN 1477-0520

Verma, Pragya ; Patni, Priya A. ; Sunoj, Raghavan B. (2011) Mechanistic insights on N-heterocyclic carbene-catalyzed annulations: the role of base-assisted proton transfers Journal of Organic Chemistry, 76 (14). pp. 5606-5613. ISSN 0022-3263

Anand, Megha ; Sunoj, Raghavan B. (2011) Palladium(II)-catalyzed direct alkoxylation of arenes: evidence for solvent-assisted concerted metalation deprotonation Organic Letters, 13 (18). pp. 4802-4805. ISSN 1523-7060

Sharma, Akhilesh K. ; Sunoj, Raghavan B. (2011) Stereocontrol in proline-catalyzed asymmetric amination: a comparative assessment of the role of enamine carboxylic acid and enamine carboxylate Chemical Communications, 47 (20). pp. 5759-5761. ISSN 1359-7345

Stephen, Raji ; Sunoj, Raghavan B. ; Ghosh, Prasenjit (2011) A computational insight into a metal mediated pathway for the ring-opening polymerization (ROP) of lactides by an ionic {(NHC)₂Ag}⁺X⁻ (X = halide) type N-heterocyclic carbene (NHC) complex Dalton Transactions, 40 (39). pp. 10156-10161. ISSN 1477-9226

Sharma, Akhilesh K. ; Sunoj, Raghavan B. (2010) Enamine versus oxazolidinone: what controls stereoselectivity in proline-catalyzed asymmetric aldol reactions? Angewandte Chemie International Edition, 49 (36). pp. 6373-6377. ISSN 1433-7851

Kumari, Manju ; Sunoj, Raghavan B. ; Balaji, Petety V. (2010) Exploring the conformational space for the interactions of aromatic residue analogs with biologically important saccharides Biophysical Journal, 98 (3). Article ID 241a. ISSN 0006-3495

Krishna, Urlam Murali ; Patil, Mahendra P. ; Sunoj, Raghavan B. ; Trivedi, Girish K. (2010) [5+3] Cycloaddition of 3-oxidopyrylium: a novel route to functionalized cyclooctanoids from furans Synthesis, 2010 (02). pp. 320-328. ISSN 0039-7881

Patil, Mahendra P. ; Sharma, Akhilesh K. ; Sunoj, Raghavan B. (2010) Importance of the nature of α-substituents in pyrrolidine organocatalysts in asymmetric michael additions Journal of Organic Chemistry, 75 (21). pp. 7310-7321. ISSN 0022-3263

Roy, Dipankar ; Sunoj, Raghavan B. (2010) Ni-, Pd- or Pt-catalyzed ethylene dimerization: a mechanistic description of the catalytic cycle and the active species Organic and Biomolecular Chemistry, 8 (5). pp. 1040-1051. ISSN 1477-0520

Patel, Chandan ; Sunoj, Raghavan B. (2010) TiCl₄-promoted Baylis−Hillman reaction: mechanistic rationale toward product distribution and stereoselectivity The Journal of Organic Chemistry, 75 (2). pp. 359-367. ISSN 0022-3263

Shinisha, C. B. ; Sunoj, Raghavan B. (2010) Transition state models for probing stereoinduction in evans chiral auxiliary-based asymmetric aldol reactions Journal of the American Chemical Society, 132 (35). pp. 12319-12330. ISSN 0002-7863

Shinisha, C. B. ; Sunoj, Raghavan B. (2010) The pivotal role of chelation as a stereochemical control element in non-Evans antialdol product formation Organic Letters, 12 (12). pp. 2868-2871. ISSN 1523-7060

Rajeev, Ramanan ; Sunoj, Raghavan B. (2009) On the origin of reversible hydrogen activation by phosphine-boranes Chemistry - A European Journal, 15 (46). pp. 12846-12855. ISSN 0947-6539

Patil, Mahendra P. ; Sunoj, Raghavan B. (2009) On the relative preference of enamine/iminium pathways in an organocatalytic Michael addition reaction Chemistry - An Asian Journal, 4 (5). pp. 714-724. ISSN 1861-4728

Roy, Dipankar ; Patel, Chandan ; Sunoj, Raghavan B. (2009) Mechanistic insights and the role of cocatalysts in Aza-Morita−Baylis−Hillman and Morita−Baylis−Hillman reactions Journal of Organic Chemistry, 74 (18). pp. 6936-6943. ISSN 0022-3263

Ray, Aurkie ; Rosair, Georgina M. ; Rajeev, Ramanan ; Sunoj, Raghavan B. ; Rentschler, Eva ; Mitra, Samiran (2009) Na^I/Cu^I–II heterometallic cages interconnected by unusual linear 2-coordinate OCN-Cu(I)-NCO links: synthesis, structural, magnetostructural correlation and computational studies Dalton Transactions (43). pp. 9510-9519. ISSN 1477-9226

Shinisha, C. B. ; Sunoj, Raghavan B. (2009) On the origins of kinetic resolution of cyclohexane-1,2-diols through stereoselective acylation by chiral tetrapeptides Organic Letters, 11 (15). pp. 3242-3245. ISSN 1523-7060

Sinan, Mominul ; Panda, Manashi ; Banerjee, Priyabrata ; Shinisha, C. B. ; Sunoj, Raghavan B. ; Goswami, Sreebrata (2009) Synthesis of azoaromatic dyes via redox driven C−N bond fusion Organic Letters, 11 (15). pp. 3218-3221. ISSN 1523-7060

Roy, Dipankar ; Sunoj, Raghavan B. (2008) Water catalysis in the Morita-Baylis-Hillman reaction: a mechanistic perspective Chemistry - A European Journal, 14 (34). pp. 10530-10534. ISSN 0947-6539

Patil, Mahendra P. ; Sunoj, Raghavan B. (2008) The role of noninnocent solvent molecules in organocatalyzed asymmetric Michael addition reactions Chemistry - A European Journal, 14 (33). pp. 10472-10485. ISSN 0947-6539

Janardanan, Deepa ; Sunoj, Raghavan B. (2008) Enantio- and diastereoselectivities in chiral sulfur ylide promoted asymmetric aziridination reactions Journal of Organic Chemistry, 73 (21). pp. 8163-8174. ISSN 0022-3263

Roy, Dipankar ; Patel, Chandan ; Liebman, Joel F. ; Sunoj, Raghavan B. (2008) Probing intramolecular interactions in arylselenides using a property descriptor based approach Journal of Physical Chemistry A, 112 (37). pp. 8797-8803. ISSN 1089-5639

Shinisha, C. B. ; Sunoj, Raghavan B. (2008) Unraveling high precision stereocontrol in a triple cascade organocatalytic reaction Organic and Biomolecular Chemistry, 6 (21). pp. 3921-3929. ISSN 1477-0520

Janardanan, Deepa ; Sunoj, Raghavan B. (2007) Computational investigations on the general reaction profile and diastereoselectivity in sulfur ylide promoted aziridination Chemistry - A European Journal, 13 (17). pp. 4805-4815. ISSN 0947-6539

Roy, Dipankar ; Sunoj, Raghavan B. (2007) Intramolecular nonbonding interactions in organoseleniums: quantification using a computational thermochemical approach Journal of Molecular Structure: Theochem, 809 (1-3). pp. 145-152. ISSN 0166-1280

Roy, Dipankar ; Sunoj, Raghavan B. (2007) Ab initio and density functional theory evidence on the rate-limiting step in the Morita−Baylis−Hillman reaction Organic Letters, 9 (23). pp. 4873-4876. ISSN 1523-7060

Shinisha, C. B. ; Sunoj, Raghavan B. (2007) Bicyclic proline analogues as organocatalysts for stereoselective aldol reactions: an in silico DFT study Organic and Biomolecular Chemistry, 5 (8). pp. 1287-1294. ISSN 1477-0520

Janardanan, Deepa ; Sunoj, Raghavan B. (2007) Density functional theory investigations on sulfur ylide promoted cyclopropanation reactions: insights on mechanism and diastereoselection issues Journal of Organic Chemistry, 72 (2). pp. 331-341. ISSN 0022-3263

Patil, Mahendra P. ; Sunoj, Raghavan B. (2007) Insights on co-catalyst-promoted enamine formation between dimethylamine and propanal through ab initio and density functional theory study Journal of Organic Chemistry, 72 (22). pp. 8202-8215. ISSN 0022-3263

Ghumaan, Sandeep ; Mukherjee, Sriparna ; Kar, Sanjib ; Roy, Dipankar ; Mobin, Shaikh M. ; Sunoj, Raghavan B. ; Lahiri, Goutam Kumar (2006) An experimental and density functional theory approach towards the establishment of preferential metal- or ligand-based electron-transfer processes in large quinonoid-bridged diruthenium complexes [{(aap)₂ru}₂(μ-bl^2–)]ⁿ⁺ (aap = 2-arylazopyridine) European Journal of Inorganic Chemistry, 2006 (21). pp. 4426-4441. ISSN 1434-1948

Samantaray, Manoja K. ; Roy, Dipankar ; Patra, Ahindra ; Stephen, Raji ; Saikh, Mobin ; Sunoj, Raghavan B. ; Ghosh, Prasenjit (2006) Experimental and theoretical studies of a silver complex of O-functionalized N-heterocyclic carbene Journal of Organometallic Chemistry, 691 (18). pp. 3797-3805. ISSN 0022-328X

Samantaray, Manoja K. ; Katiyar, Vimal ; Roy, Dipankar ; Pang, Keliang ; Nanavati, Hemant ; Stephen, Raji ; Sunoj, Raghavan B. ; Ghosh, Prasenjit (2006) A cationic (N-heterocyclic carbene) silver complex as catalyst for bulk ring-opening polymerization of L-lactides European Journal of Inorganic Chemistry, 2006 (15). pp. 2975-2984. ISSN 1434-1948

Panda, Debashis ; Mishra, Padmaja P. ; Khatua, Saumyakanti ; Koner, Apurba L. ; Sunoj, Raghavan B. ; Datta, Anindya (2006) Anomalous excited-state dynamics of lucifer yellow CH in solvents of high polarity: evidence for an intramolecular proton transfer Journal of Physical Chemistry A, 110 (17). pp. 5585-5591. ISSN 1089-5639

Patil, Mahendra P. ; Sunoj, Raghavan B. (2006) Density functional theory and atoms-in-molecule study on the role of two-electron stabilizing interactions in retro Diels–Alder reaction of cycloadducts derived from substituted cyclopentadiene and p-benzoquinone Organic and Biomolecular Chemistry, 4 (21). pp. 3923-3930. ISSN 1477-0520

Roy, Dipankar ; Sunoj, Raghavan B. (2006) Quantification of intramolecular nonbonding interactions in organochalcogens Journal of Physical Chemistry A, 110 (17). pp. 5942-5947. ISSN 1089-5639

Sarkar, Biprajit ; Patra, Srikanta ; Fiedler, Jan ; Sunoj, Raghavan B. ; Janardanan, Deepa ; Mobin, Shaikh M. ; Niemeyer, Mark ; Lahiri, Goutam Kumar ; Kaim, Wolfgang (2005) Theoretical and experimental evidence for a new type of spin-coupled singlet species: isomeric mixed-valence complexes with bridging radical anion ligands Angewandte Chemie, 44 (35). pp. 5655-5658. ISSN 0044-8249

Kar, Sanjib ; Sarkar, Biprajit ; Ghumaan, Sandeep ; Janardanan, Deepa ; van Slageren, Joris ; Fiedler, Jan ; Puranik, Vedavati G. ; Sunoj, Raghavan B. ; Kaim, Wolfgang ; Lahiri, Goutam Kumar (2005) 2,5-dioxido-1,4-benzoquinonediimine (H₂L²⁻), a hydrogen-bonding noninnocent bridging ligand related to aminated topaquinone: different oxidation state distributions in complexes [{(bpy)₂Ru}₂(μ-H₂L)]ⁿ (n = 0,+,2+,3+,4+) and [{(acac)₂Ru}₂(μ-H₂L)]^m (m = 2−,−,0,+,2+) Chemistry - A European Journal, 11 (17). pp. 4901-4911. ISSN 0947-6539

Kotha, Sambasivarao ; Kashinath, Dhurke ; Lahiri, Kakali ; Sunoj, Raghavan B. (2004) Synthesis of C₃-symmetric nano-sized polyaromatic compounds by trimerization and Suzuki−Miyaura cross-coupling reactions European Journal of Organic Chemistry, 2004 (19). pp. 4003-4013. ISSN 1434-193X

Briggs, Mary K. ; Desavis, Emmanuel ; Mazzer, Paula A. ; Sunoj, R. B. ; Hatcher, Susan A. ; Hadad, Christopher M. ; Hatcher, Patrick G. (2003) A new approach to evaluating the extent of Michael adduct formation to pah quinones: tetramethylammonium hydroxide (TMAH) thermochemolysis with GC/MS Chemical Research in Toxicology, 16 (11). pp. 1484-1492. ISSN 0893-228X

Farlow, Robin A. ; Thamattoor, Dasan M. ; Sunoj, R. B. ; Hadad, Christopher M. (2002) Rearrangement pathways of 2-hydroxy-2-methylpropylidene: an experimental and computational study Journal of Organic Chemistry, 67 (10). pp. 3257-3265. ISSN 0022-3263