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Journal(s)

• Aza-bicyclodiene based photoswitches for molecular solar thermal energy storage, By Akanksha Ashok Sangolkar, Rama Krishna Kadiyam and Ravinder Pawar, RSC, Energy Advances, vol.1, pp.287, 2024
• Transformation of Waste Agarwood Leaves into Heteroatom-Doped Microporous Carbon for Highly Active Metal-Free Catalytic Oxygen Reduction Reaction and Efficient Capacitive Energy Storage Application, By Rishika Chakraborty, Avinash Sharma, Prakash Majee, Pooja, Pradip K Maji, Ravinder Pawar, Yadagiri Naik Banothu and Mukul Pradhan, ACS, ACS Sustainable Resource Management, vol.1, pp.28, 2024
• Effect of Dopants on Σ3 (111) Grain Boundary in Diamond, By Pooja, Raghasudha Mucherla, Ravinder Pawar, Wiley, Physica status solidi (b), vol.261, pp.2300279, 2024
• Host–guest cooperative bridged bicyclopolyynic (BBP) open-molecular cages with optical-switching properties, By Akanksha Ashok Sangolkar, Rama Krishna Kadiyam, Ravinder Pawar, RSC, Molecular Systems Design & Engineering, vol.9, pp.188-204, 2024
• Therapeutic potential of X12Y12 (X= Al, B, and Y= N, P) nanocages as effective sensors for Ala, Val, Arg, and Asp amino acids, By Sarita Yadav, Ravinder Pawar, Elsevier, Journal of Molecular Structure, vol.1297, pp.136915, 2024
• Envisioning the hydrogen dissociation in Σ5 (100) grain boundary in diamond, By Pooja, Raghasudha Mucherla, Ravinder Pawar, Elsevier, Diamond and Related Materials, vol.138, pp.110222, 2023
• An ultrasound assisted green protocol for the synthesis of quinoxaline based bisspirooxindoles: Crystal structure analysis, enone umpolung, DFT calculations, anti-cancer activity, and molecular docking studies, By Sravanthi Baddepuri, Bhargava Sai Allaka, Rama Krishna Gamidi, Mohmmad Faizan, Ravinder Pawar, Srinivas Basavoju, Taylor & Francis, Synthetic Communications, vol.53, pp.835-854, 2023
• Ternary heterostructures of GO, MoS2, and g-C3N4: Synthesis, stability and properties, By Pooja, Sarita Yadav, Ravinder Pawar, Elsevier, Results in Surfaces and Interfaces, vol.11, pp.100115, 2023
• Origin of structure and stability of M@C18 (M = Cu, Ag, and Au) complexes with D9h point group, By Pooja, Ravinder Pawar, Wiley, Journal of Computational Chemistry, vol.44, pp.1786-1794, 2023
• Alanine boronic acid functionalized UiO‐66 MOF as a nanoreactor for the conversion of CO2 into formic acid, By Mohmmad Faizan, Ravinder Pawar, Wiley, Journal of Computational Chemistry, vol.44, pp.1624-1633, 2023
• The disposition of bridge hydrogen bond in the homopolar-diborane and its derivatives, By Sarita Yadav, Ravinder Pawar, Elsevier, Computational and Theoretical Chemistry, vol.1222, pp.114071, 2023
• Structure, Stability, and Properties of Cyclo [18] carbon-Zinc Super Sandwich Complexes (C18-Zn-C18), By Pooja, Sarita Yadav, Ravinder Pawar, Elsevier, Journal of Organometallic Chemistry, vol.991, pp.122668, 2023
• PIO and IBO analysis to unravel the hidden details of the CO2 sequestration mechanism of aromatically tempered N/B-based IFLPs, By Mohmmad Faizan, Adarsh Kumar, Mucherla Raghasudha, Ravinder Pawar, RSC, Physical Chemistry Chemical Physics, vol.25, pp.24809-24818, 2023
• Electronic and photophysical properties of an atomically thin bowl-shaped beryllene encapsulated inside the cavity of [6]cycloparaphenylene (Ben@[6]CPP), By Akanksha Ashok Sangolkar , Rama Krishna Kadiyam , Mohmmad Faizan , Omshireesh Chedupaka , Raghasudha Mucherla, Ravinder Pawar, RSC, Physical Chemistry Chemical Physics, vol.25, pp.23262-23276, 2023
• Atomistic simulations of ∑3 [110](111) grain boundary in diamond: Structure, stability, and properties, By Pooja, Ravinder Pawar, Wiley, International Journal of Quantum Chemistry, vol.123, pp.e27016, 2023
• Structure, stability, and electronic and optical properties of TMDC–coinage metal composites: vertical atomically thin self-assembly of Au clusters, By Akanksha Ashok Sangolkar, Pooja, Ravinder Pawar, RSC, Physical Chemistry Chemical Physics, vol.25, pp.4177-4192, 2023
• Aza-bicyclooctadiene/tetracyclooctane couples as promising photoswitches for molecular solar thermal energy storage applications, By Akanksha Ashok Sangolkar, Mohmmad Faizan, Kadiyam Rama Krishna, Ravinder Pawar, RSC, Molecular Systems Design & Engineering, vol.8, pp.853-865, 2023
• Unprecedented Activation of CO2 by α-Amino Boronic Acids, By Mohmmad Faizan, Kajal Saini, Raghasudha Mucherla, Ravinder Pawar, ACS, The Journal of Physical Chemistry A, vol.127, pp.7429-7442, 2023
• Density functional theory study of graphene adhesion on WX2 (X= S and Se) monolayer: Role of atom vacancy and atomic reorganization defects, By Akanksha Ashok Sangolkar, Pooja, Mohmmad Faizan, Rubi Agrawal, Ravinder Pawar, Wiley, International Journal of Quantum Chemistry, vol.122, pp.e26871, 2022
• Novel Insight into the Molecular Frustration of IFLPs Based on Boron-Functionalized Pyrimidines for CO2 Sequestration, By Mohmmad Faizan, Ravinder Pawar, ACS, The Journal of Physical Chemistry A, vol.126, pp.8633-8644, 2022
• Phenothiazine functionalized fulleropyrrolidines: synthesis, charge transport and applications to organic solar cells., By Deepak Badgurjar, Naresh Duvva, Anirban Bagui, Pooja, Sapna Gahlot, Ravinder Pawar, Surya Prakash Singh, Ashish Garg, Lingamallu Giribabu, Raghu Chitta, Springer Nature, Photochemical & Photobiological Sciences, vol.22, pp.379–393, 2022
• A prospectus for thickness dependent electronic properties of two‐dimensional metals using density functional theory calculation, By Akanksha Ashok Sangolkar, Rubi Agrawal, Ravinder Pawar, Wiley, International Journal of Quantum Chemistry, vol.122, pp.e26982, 2022
• Boron based intramolecular heterocyclic frustrated Lewis pairs as organocatalysts for CO2 adsorption and activation, By Mohmmad Faizan, Ravinder Pawar, Wiley, Journal of Computational Chemistry, vol.43, pp.1474-1483, 2022
• Enhanced Selectivity of Propylene Epoxidation Reaction on Cu Monolayer Surface via Eley‐Rideal Mechanism, By Akanksha Ashok Sangolkar, Ravinder Pawar, Wiley, ChemPhysChem, vol.23, pp.e202200334, 2022
• Cucurbit[7]uril as Nanoreactor for the Fixation of CO2 with Oxirane: A Density Functional Theory Investigation, By Mohmmad Faizan, Ravinder Pawar, Wiley, ChemistrySelect, vol.7, pp.e202201315, 2022
• Synthesis, characterization, crystal structure determination, computational modelling and biological studies of a new tetrakis-(2-hydroxy-5-methylphenyl)(1H-pyrazol-4-yl)methanonezinc(II) complex, By Ajmeera Ramesh, Basavoju Srinivas, Ravinder Pawar, Allikayala Ramachandraiah, Elsevier, Journal of Molecular Structure, vol.1255, pp.132377, 2022
• Synthesis, characterization and Density Functional Theory of novel one-pot thioalkylated benzimidazole-linked 4-substituted mercaptoimidazole molecular hybrids via multi-component approach, By Raju Chedupaka, Ravinder Pawar, Papisetti Venkatesham, Rajeswar Rao Vedula, Taylor & Francis, Synthetic Communications, vol.52, pp.1111-1121, 2022
• Structure, stability and properties of alternating boron-nitride nanotubes (BNNTs): A density functional theory calculations, By Pooja, Akanksha Ashok Sangolkar, Mohmmad Faizan, Ravinder Pawar, Elsevier, Computational and Theoretical Chemistry, vol.1211, pp.113668, 2022
• Azaboratrane as an exceptionally potential organocatalyst for the activation of CO2 and coupling with epoxide, By Mohmmad Faizan, Nikhil Srivastav, Ravinder Pawar, Elsevier, Molecular Catalysis, vol.521, pp.112201, 2022
• Density Functional Theory‐Based Calculations for 2D Hexagonal Lanthanide Metals, By Akanksha Ashok Sangolkar, Sakshi Jha, Ravinder Pawar, Wiley, Advanced Theory and Simulations, vol.5, pp.2200057, 2022
• Synthesis of 2-styryl-quinazoline and 3-styryl-quinoxaline based sulfonate esters via sp3 C–H activation and their evaluation for α-glucosidase inhibition, By Neeli Satyanarayana, Boddu Ramya Sree, Kota Sathish, Sakkani Nagaraju, Kalivarathan Divakar, Ravinder Pawar, Thangellapally Shirisha, Dhurke Kashinath, RSC, New Journal of Chemistry, vol.46, pp.5162-5170, 2022
• A facile synthesis of amphiphilic N-glycosyl naphthalimides and fabrication of flexible semiconductors using molecular self-assembly, By Arun Kumar Rachamalla, Vara Prasad Rebaka, Tohira Banoo, Ravinder Pawar, Mohmmad Faizan, Krishnamoorthy Lalitha, Subbiah Nagarajan, RSC, Green Chemistry, vol.24, pp.2451-2463, 2022
• Metal-free, one-pot synthesis of 2-styrylquinolines via Friedländer annulation and sp3 C–H activation using 1,3-dimethylurea and L-tartaric acid (3[thin space (1/6-em)]:[thin space (1/6-em)]1) as a deep eutectic solvent, By Neeli Satyanarayana, Kota Sathish, Sakkani Nagaraju, Ravinder Pawar, Mohmmad Faizan, Murgan Arumugavel, Thangellapally Shirisha, Dhurke Kashinath, RSC, New Journal of Chemistry, vol.46, pp.1637-1642, 2022
• DABCO as a potential catalyst for the CO2 fixation: A density functional theory and ab initio molecular dynamics study, By Mohmmad Faizan, Ravinder Pawar, Wiley, Journal of Physical Organic Chemistry, vol.35, pp.e4284, 2022
• Dissociative Adsorption of H2S on Li (110) Surface Using Density Functional Theory Calculations and Car-Parrinello Molecular Dynamics Simulations, By Akanksha Ashok Sangolkar, Rubi Agrawal, Ravinder Pawar, Wiley, Chemphyschem, vol.23, pp.e202100658, 2022
• Pentazole (N5H) as a possible catalyst for CO2 activation: Density functional theory (DFT) and ab initio molecular dynamics (AIMD) studies, By Mohmmad Faizan, Ravinder Pawar, Wiley, Journal of Physical Organic Chemistry, vol.35, pp.e4303, 2022
• Structure, stability, properties and application of atomically thin coinage metal flatland in graphene pore: A DFT calculation, By Akanksha Ashok Sangolkar, Ravinder Pawar, Wiley, Physica status solidi (b), vol.259, pp.2100489, 2022
• Density functional theory based HSE06 calculations to probe the effects of defect on electronic properties of monolayer TMDCs, By Ravinder Pawar, Akanksha Ashok Sangolkar, Elsevier, Computational and Theoretical Chemistry, vol.1205, pp.113445, 2021
• An easy access to novel sugar-based spirooxindole-pyrrolidines or-pyrrolizidines through [3+ 2] cycloaddition of azomethine ylides, By Arasappan Hemamalini, Subbiah Nagarajan, Pawar Ravinder, Venkatesan Subramanian, Thangamuthu Mohan Das, Thieme, Synthesis, vol., pp.2495-2504, 2021
• Density functional theory studies on h-BN–transition metal dichalcogenide heterostructures (TMDCs) and TMDC-h-BN-TMDC (sandwich heterostructures), By Ravinder Pawar, Akanksha Ashok Sangolkar, Elsevier, Computational and Theoretical Chemistry, vol.1204, pp.113417, 2021
• 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 the Schiff base, By Ajmeera Ramesh, Ravider Pawar, Perugu Shyam, Allikayala Ramachandraiah, Springer, Research on Chemical Intermediates, vol.47, pp.4673–4697, 2021
• Photo-induced energy and electron transfer in carboxylic acid functionalized bis (4′-tert-butylbiphenyl-4-yl) aniline (BBA)-substituted A3B zinc porphyrins, By Suneel Gangada, Pooja, Anjaiah Boligorla, Vijendar Reddy Karla, Srikanth Bandi, Ravinder Pawar, Raghu Chitta, Springer, Journal of Chemical Sciences, vol.133, pp.1-12, 2021
• Rongalite-promoted metal-free aerobic ipso-hydroxylation of arylboronic acids under sunlight: DFT mechanistic studies, By Sivaparwathi Golla, Soumya Poshala, Ravinder Pawar, Hari Prasad Kokatla, Elsevier, Tetrahedron Letters, vol.61, pp.151539, 2020
• Excitation-Wavelength-Dependent Light-Induced Electron Transfer and Twisted Intramolecular Charge Transfer in N,N-Bis(4′-tert-butylbiphenyl-4-yl)aniline Functionalized Borondipyrromethenes, By Suneel Gangada, Ramya Athira Ramnagar, Akanksha Ashok Sangolkar, Ravinder Pawar, Jagadeesh Babu Nanubolu, Partha Roy, Lingamallu Giribabu, Raghu Chitta, ACS, The Journal of Physical Chemistry A, vol.124, pp.9738–9750, 2020
• Prediction of the [4+ 2]-and [5+ 4]-cycloaddition reactions in zig-zag carbon nanotubes via an ambimodal transition state: density functional theory calculations, By Akanksha Ashok Sangolkar, Ravinder Pawar, RSC, RSC advances, vol.10, pp.11111-11120, 2020
• The bulk conversion depth of the NV-center in diamond: computing a charged defect in a neutral slab, By Robin Löfgren, Ravinder Pawar, Sven Öberg, J Andreas Larsson, IOP, New Journal of Physics, vol.21, pp.053037, 2019
• Hydrogen bonding interaction of N5H with water: A first principle calculations, By Ravinder Pawar, Venkatesan Subramanian, Elsevier, Computational and Theoretical Chemistry, vol.1165, pp.112560, 2019
• Charged dopants in neutral supercells through substitutional donor (acceptor): nitrogen donor charging of the nitrogen-vacancy center in diamond, By Robin Löfgren, Ravinder Pawar, Sven Öberg, J Andreas Larsson, IOP, New Journal of Physics, vol.20, pp.023002, 2018
• Can graphene outperform indium tin oxide as transparent electrode in organic solar cells?, By Paolo Paletti, Ravinder Pawar, Giacomo Ulisse, Francesca Brunetti, Giuseppe Iannaccone, Gianluca Fiori, IOP, 2D Materials, vol.4, pp.045006, 2015
• Heterojunction Hybrid Devices from Vapor Phase Grown MoS2, By Chanyoung Yim, Maria O'Brien, Niall McEvoy, Sarah Riazimehr, Heiko Schäfer-Eberwein, Andreas Bablich, Ravinder Pawar, Giuseppe Iannaccone, Clive Downing, Gianluca Fiori, Max C Lemme, Georg S Duesberg, Nature Publishing Group UK, Scientific reports, vol.4, pp.5458, 2014
• Thermo Neutral SN2 Reaction within Pristine and Stone–Wales Defective BNNTs and CNTs, By Ravinder Pawar, Subramanian Venkatesan, ACS, The Journal of Physical Chemistry C, vol.117, pp.5095–5100, 2013
• Fullerene based endohedral metallocenes, By Ravinder Pawar, Subramanian Venkatesan, Elsevier, Computational and Theoretical Chemistry, vol.998, pp.106-112, 2012
• Role of Encapsulation of Na+ and F– Ions on the Diels–Alder Reactivity of C32, By Ravinder Pawar, Subramanian Venkatesan, ACS, The Journal of Physical Chemistry A, vol.116, pp.6870-6878, 2012
• Studies on the Encapsulation of F– in Single Walled Nanotubes of Different Chiralities Using Density Functional Theory Calculations and Car–Parrinello Molecular Dynamics Simulations, By Ravinder Pawar, Mahesh Kumar Ravva, Subramanian Venkatesan, ACS, The Journal of Physical Chemistry A, vol.116, pp.5519–5528, 2012
• Density functional theory studies on the Diels–Alder reaction of [3]dendralene with C60: an attractive approach for functionalization of fullerene, By Ravinder Pawar, Subramanian Subramanian, Springer, Theoretical Chemistry Accounts, vol.131, pp.1128, 2012
• Stone–Wales transformation in double-walled carbon nanotubes and the role of inner tube, By Ravinder Pawar, Subramanian Venkatesan, acs, The Journal of Physical Chemistry C, vol.116, pp.16815-16822, 2012
• Studies on the encapsulation of various anions in different fullerenes using density functional theory calculations and Born–Oppenheimer molecular dynamics simulation, By Ravinder Pawar, Subramanian Venkatesan, ACS, The Journal of Physical Chemistry A, vol.115, pp.11723-11733, 2011
• FACE-selective fluorogenic cycloaddition reaction between coumarin azides and sugar terminal alkynes: an experimental and computational study, By Ramanathan Rajaganesh, Pawar Ravinder, Venkatesan Subramanian, Thangamuthu Mohan Das, Elsevier, Carbohydrate research, vol.346, pp.2327-2336, 2011
• Substitution effects of Diborane on the interaction with Borazine (Inorganic Benzene), By Ravinder Pawar, Subramanian Venkatesan, ACS, The Journal of Physical Chemistry A, vol.114, pp.5565-5572, 2010
• Protecting group/halogen effect of N-glycosylamines on the self assembly of organogelator, By Subbiah Nagarajan, Ravinder Pawar, Subramanian Venkatesan, Thangamuthu Mohan Das, RSC, New Journal of Chemistry, vol.34, pp.123-131, 2010

Conference(s)

• Improving the efficiency of organic solar cells with graphene transparent electrode and light management: a simulation study By GIANLUCA Fiori, PAOLO Paletti, RAVINDER Pawar, GIUSEPPE Iannaccone, G Ulisse, F Brunetti, 2015 IEEE 15th International Conference on Nanotechnology (IEEE-NANO), 2015
• Simulation of Organic Solar Cell with Graphene Transparent Electrode By PAOLO PALETTI, RAVINDER PAWAR, Giacomo Ulisse, Francesca Brunetti, GIUSEPPE IANNACCONE, GIANLUCA FIORI, International Workshop on Computational Electronics 2015, 2015

Book Chapter(s)

• Effect of Both Structural and Electronic Confinements on Interaction, Chemical Reactivity and Properties By Mahesh Kumar Ravva, Ravinder Pawar, Shyam Vinod Kumar Panneer, Venkata Surya Kumar Choutipalli, Venkatesan Subramanian in Chemical Reactivity in Confined Systems: Theory, Modelling and Applications, John Wiley & Sons Ltd, Hard bound and soft, 2021

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