| Heterojunction Hybrid Devices from Vapor Phase Grown MoS2 C Yim, M O'Brien, N McEvoy, S Riazimehr, H Schäfer-Eberwein, A Bablich, ... Scientific reports 4 (1), 5458, 2014 | 95 | 2014 |
| FACE-selective fluorogenic cycloaddition reaction between coumarin azides and sugar terminal alkynes: an experimental and computational study R Rajaganesh, P Ravinder, V Subramanian, TM Das Carbohydrate research 346 (15), 2327-2336, 2011 | 32 | 2011 |
| Studies on the encapsulation of various anions in different fullerenes using density functional theory calculations and Born–Oppenheimer molecular dynamics simulation P Ravinder, V Subramanian The Journal of Physical Chemistry A 115 (42), 11723-11733, 2011 | 26 | 2011 |
| Substitution effects of Diborane on the interaction with Borazine (Inorganic Benzene) P Ravinder, V Subramanian The Journal of Physical Chemistry A 114 (17), 5565-5572, 2010 | 23 | 2010 |
| Protecting group/halogen effect of N-glycosylamines on the self assembly of organogelator S Nagarajan, P Ravinder, V Subramanian, TM Das New Journal of Chemistry 34 (1), 123-131, 2010 | 21 | 2010 |
| Charged dopants in neutral supercells through substitutional donor (acceptor): nitrogen donor charging of the nitrogen-vacancy center in diamond R Löfgren, R Pawar, S Öberg, JA Larsson New Journal of Physics 20 (2), 023002, 2018 | 20 | 2018 |
| An easy access to novel sugar-based spirooxindole-pyrrolidines or-pyrrolizidines through [3+ 2] cycloaddition of azomethine ylides A Hemamalini, S Nagarajan, P Ravinder, V Subramanian, TM Das Synthesis, 2495-2504, 2011 | 20 | 2011 |
| Density functional theory based HSE06 calculations to probe the effects of defect on electronic properties of monolayer TMDCs R Pawar, AA Sangolkar Computational and Theoretical Chemistry 1205, 113445, 2021 | 19 | 2021 |
| Thermo Neutral SN2 Reaction within Pristine and Stone–Wales Defective BNNTs and CNTs P Ravinder, V Subramanian The Journal of Physical Chemistry C 117 (10), 5095-5100, 2013 | 17 | 2013 |
| Studies on the Encapsulation of F– in Single Walled Nanotubes of Different Chiralities Using Density Functional Theory Calculations and Car–Parrinello Molecular … P Ravinder, RM Kumar, V Subramanian The Journal of Physical Chemistry A 116 (23), 5519-5528, 2012 | 15 | 2012 |
| Rongalite-promoted metal-free aerobic ipso-hydroxylation of arylboronic acids under sunlight: DFT mechanistic studies S Golla, S Poshala, R Pawar, HP Kokatla Tetrahedron letters 61 (9), 151539, 2020 | 14 | 2020 |
| Density functional theory studies on h-BN–transition metal dichalcogenide heterostructures (TMDCs) and TMDC-h-BN-TMDC (sandwich heterostructures) R Pawar, AA Sangolkar Computational and Theoretical Chemistry 1204, 113417, 2021 | 13 | 2021 |
| The bulk conversion depth of the NV-center in diamond: computing a charged defect in a neutral slab R Löfgren, R Pawar, S Öberg, JA Larsson New Journal of Physics 21 (5), 053037, 2019 | 13 | 2019 |
| Azaboratrane as an exceptionally potential organocatalyst for the activation of CO2 and coupling with epoxide M Faizan, N Srivastav, R Pawar Molecular Catalysis 521, 112201, 2022 | 12 | 2022 |
| Structure, stability, properties and application of atomically thin coinage metal flatland in graphene pore: A DFT calculation AA Sangolkar, R Pawar physica status solidi (b), 2021 | 12* | 2021 |
| Role of Encapsulation of Na+ and F– Ions on the Diels–Alder Reactivity of C32 P Ravinder, V Subramanian The Journal of Physical Chemistry A 116 (25), 6870-6878, 2012 | 12 | 2012 |
| Density functional theory studies on the Diels–Alder reaction of [3]dendralene with C60: an attractive approach for functionalization of fullerene P Ravinder, V Subramanian Theoretical Chemistry Accounts 131, 1-11, 2012 | 12 | 2012 |
| Boron based intramolecular heterocyclic frustrated Lewis pairs as organocatalysts for CO 2 adsorption and activation M Faizan, R Pawar Journal of Computational Chemistry, 2022 | 10 | 2022 |
| Can graphene outperform indium tin oxide as transparent electrode in organic solar cells? P Paletti, R Pawar, G Ulisse, F Brunetti, G Iannaccone, G Fiori 2D Materials 2 (4), 045006, 2015 | 10 | 2015 |
| Synthesis, DFT calculations and biological activity of a new Schiff base of 4-aminoantipyrine and its Co (II), Ni (II), Cu (II) and Zn (II) complexes and crystal structure of … A Ramesh, R Pawar, P Shyam, A Ramachandraiah Research on Chemical Intermediates 47, 4673-4697, 2021 | 9 | 2021 |
