Research Group Publications

 
 
  • Sachin Thawarkar, Nageswar D. Khupse And Anil Kumar, Kinetic Profile and Catalytic Activity of Transition Metal-Based Ionic Liquids for Reduction of Nitroarenes via In Situ Formation of Nanoparticles, Chemistry Select., 2, 6833 (2017).
  • R. Chakraborty, S. Bose And D. Ghosh*, Effect of Solvation on the Ionization of Guanine Nucleotide: A Hybrid QM/EFP Study, J. Comput. Chem., , (2017), DOI:10.1002/jcc.24913.
  • S. Bose And D. Ghosh*, An interaction energy driven biased sampling technique: A faster route to ionization spectra in condensed phase, J. Comput. Chem., , (2017), DOI:10.1002/jcc.24875.
  • P. Ghosh And D. Ghosh*, Elucidating the Photoprotection Mechanism of Eumelanin Monomers, J. Phys. Chem. B., 121(24), 5988 - 5994 (2017), DOI:10.1021/acs.jpcb.7b05123.
  • Harshitha Barike Aiyappa, Siddheshwar N Bange And Vijitha P Sivasankaran, Single cell fabrication towards realistic evaluation of CNT strung ZIF-derived electrocatalyst as cathode material in alkaline fuel cell and metal-air battery, ChemElectroChem., Just Accepted, (2017), DOI:10.1002/celc.201700562.
  • Ayasha Nadeema, Vishal M. Dhavale And Sreekumar Kurungot, NiZn double hydroxide nanosheet-anchored nitrogen-doped graphene enriched with ?-NiOOH phase as an activity modulated water oxidation electrocatalyst, Nanoscale., Just Accepted, (2017), DOI:10.1039/C7NR02225E.
  • Preeti Jain And Anil Kumar, Comparable Ionicity of the Solutions of Aprotic and Protic Ionic Liquids by Anion Substitution, J Solution Chem., 46, 1315 (2017).
  • Preeti Jain And Anil Kumar, Probing the solute-solvent interactions in the binary mixtures of ionic liquids with water and alcohols by conductance, viscosity and IR spectroscopy, Journal of Molecular Liquids., 238, 270 (2017).
  • Pranav K. Gangadharan, Sreekuttan M. Unni, Nandha Kumar, Prasenjit Ghosh And Sreekumar Kurungot, Nitrogen-Doped Graphene with Three-Dimensional Architecture Assisted by Carbon Nitride Tetrapods as an Efficient Metal-Free Electrocatalyst for Hydrogen Evolution, ChemElectroChem., Just Accepted, (2017), DOI:10.1002/celc.201700479R1.
  • Biplab Manna, Aamod V. Desai, Rajith Illathvalappil, Kriti Gupta, Arunabha Sen, Sreekumar Kurungot And Sujit K. Ghosh, Ultrahigh Ionic Conduction in Water Stable Close-Packed Metal-Carbonate Frameworks, Inorganic Chemistry., Just Accepted, (2017).
  • Fatima Halouane, Yavuz Oz, Dalila Meziane, Alexandre Barras, Jean Juraszek, Santosh K. Singh, Sreekumar Kurungot, Pankaj K. Shaw, Rana Sanyal, Rabah Boukherroub, Amitav Sanyal And Sabine Szunerits, Magnetic reduced graphene oxide loaded hydrogels: highly versatile and efficient adsorbents for dyes and selective Cr(VI) ions removal, Journal of Colloid & Interface Science., Just Accepted, (2017).
  • Amit Kumawat And Suman Chakrabarty*, Hidden electrostatic basis of dynamic allostery in a PDZ domain, Proc. Nat. Acad. Sci. USA., 114, E5825 - E5834 (2017), DOI:10.1073/pnas.1705311114.
  • Chaitanya Krishna Kamaja, Rami Reddy Devarapalli And Manjusha Shelke*, One?step Synthesis of MoS2?CuS Composite with High Electrochemical Activity as an Effective Counter Electrode for CdS/CdSe Sensitized Solar Cells, ChemElectroChem., , (2017), DOI:10.1002/celc.201700231.
  • Malik Wahid, Yogesh Gawli, Dhanya Puthusseri, Ajay Kumar, Manjusha V Shelke And Satishchandra Ogale, Nutty Carbon: Morphology Replicating Hard Carbon from Walnut Shell for Na Ion Battery Anode, ACS Omega., 2, 3601 - 3609 (2017).
  • Yogesh Gawli, Malik Wahid, Rohan Fernandez, Dushyant Kothari, Manjusha Shelke And Satish Ogale, Hexaphosphate?Derived Phosphorus?Functionalized Carbon for Lithium?Ion Battery Anode, ChemistrySelect., 2, 5600 - 5607 (2017).
  • Anupam Biswas, Mayuresh A Kulkarni, Rangarajan Bakthavatsalam, Sourik K Mondal, Pravin K Dwivedi, Manjusha V Shelke, Radhamonyamma N Devi, Arun G Banpurkar And Janardan Kundu, Facile Synthesis and Self-Cleaning Application of Bimetallic (CuSn, CuNi) Dendrites, ChemistrySelect., 2, 5552 - 5563 (2017).
  • Sandeep G Yenchalwar, Sachin R Rondiya, Pravin N Shinde, Sandesh R Jadkar And MV Shelke*, Optical antenna effect on SiNWs/CuS photodiodes, physica status solidi (a)., 214, 1600635 (2017).
  • Anukul K Thakur, Ashvini B Deshmukh, Ram Bilash Choudhary, Indrapal Karbhal, Mandira Majumder And Manjusha V Shelke, Facile synthesis and electrochemical evaluation of PANI/CNT/MoS2 ternary composite as an electrode material for high performance supercapacitor, Materials Science and Engineering: B., 223, 24 - 34 (2017).
  • Manjusha V. Shelke, Hemtej Gullapalli, Kaushik Kalaga, Marco-Tulio F. Rodrigues, Rami Reddy Devarapalli, Robert Vajtai And Pulickel M. Ajayan, Facile Synthesis of 3D Anode Assembly with Si Nanoparticles Sealed in Highly Pure Few Layer Graphene Deposited on Porous Current Collector for Long Life Li-Ion Battery, Advanced Materials Interfaces., 4, 1601043 (2017).
  • D. Rami Reddy, C. K. Kamaja And M. V. Shelke*, Co-catalytic Metal Oxide Nanoparticles Decorated Silicon/ Hematite Core Shell Nanowire Arrays as Efficient Photo Electrodes for Water Splitting, ChemistrySelect., 2, 2544 - 2551 (2017).
  • Purna K Boruah, Bhagyasmeeta Sharma, Indrapal Karbhal, Manjusha V Shelke And Manash R Das, Ammonia-modified graphene sheets decorated with magnetic Fe3O4 nanoparticles for the photocatalytic and photo-Fenton degradation of phenolic compounds under sunlight irradiation, Journal of Hazardous Materials., 325, 90 - 100 (2017).
  • A. Biswas, M. A. Kulkarni, R. Bakthavatsalam, S. K. Mondal, P. K. Dwivedi, M. V. Shelke, R. Nandini Devi, A. G. Banpurkar And J. Kundu, Facile Synthesis and self-cleaning Application of Bimetallic (CuSn, CuNi) Dendrites, ChemistrySelect., 2, 5552 - 5563 (2017), DOI:10.1002/slct.201700763.
  • Somnath M. Kashid, Geun Young Jin, Suman Chakrabarty* , Yung Sam Kim* And and Sayan Bagchi* , Two-Dimensional Infrared Spectroscopy Reveals Cosolvent-Composition-Dependent Crossover in Intermolecular Hydrogen-Bond Dynamics, J. Phys. Chem. Lett., 8, 1604 - 1609 (2017).
  • Pravin Shinde, Sayam Sen Gupta, Baljeet singh, Vivek Polshettiwar And Prasad Bhagavatula, Amphi-Functional Mesoporous Silica Nanoparticles for Dye Separation, J. Mater. Chem. A., , (2017), DOI:10.1039/C7TA03904B.
    Just Accepted...
  • Rajith Illathvalappil, Vishal Mahesh Dhavale, Siddheshwar N Bhange And Sreekumar Kurungot , Nitrogen doped graphene anchored with mixed growth patterns of CuPt alloy nanoparticles as a highly efficient and durable electrocatalyst for oxygen reduction reaction in alkaline medium, Nanoscale., Just Accepted Manuscript, (2017), DOI:10.1039/C7NR00697G.
  • Partha Samanta, Aamod V. Desai, Bihag Anothumakkool, Mandar M. Shirolkar, Avishek Karmakar, Sreekumar Kurungot And Sujit K. Ghosh, Enhanced Proton Conduction by Post-Synthetic Covalent Modification in a Porous Covalent Framework, Journal of Materials Chemistry A., Just Accepted Manuscript, (2017).
  • Jayesh R Shimpi, Deepti S Sidhaye And Bhagavatula L V Prasad, Digestive Ripening: A fine chemical machining process on the nanoscale, Langmuir., , (2017), DOI:10.1021/acs.langmuir.7b00193.
    This article has also been selected to be featured in ACS Editors' Choice...
  • Puspanjali Sahu, Jayesh Shimpi And Bhagavatula L V Prasad, Chapter 8 Molecular Tools for Controlling Nanoparticle Size/Morphologies, Molecular Materials-CRC Press, Taylor and Francis Group., , 189 (2017).
  • Rajashree Dhananjay Jadhav, Shreenivas V Bhide, B. L. V. Prasad And Jayesh Shimpi, Applications of silver nanoparticles in prosthodontics: An overview, European Journal of Prosthodontics., 4, 45 - 63 (2017), DOI:10.4103/EJP.EJP_24_16.
  • Vijay Beniwal And Anil Kumar, Thermodynamic and molecular origin of interfacial rate enhancements and endo-selectivities of a Diels–Alder reaction, Phys. Chem. Chem. Phys., 19, 4297 - 4306 (2017).
  • Samik Bose , Suman Chakrabarty* And Debashree Ghosh*, Electrostatic Origin of the Red Solvatochromic Shift of DFHBDI in RNA Spinach, J. Phys. Chem. B., 121, 4790 - 4798 (2017), DOI:10.1021/acs.jpcb.7b02445.
  • S. Bose, S. Chakrabarty* And D. Ghosh*, Electrostatic Origin of the Red Solvatochromic Shift of DFHBDI in RNA Spinach, J. Phys. Chem. B., , (2017), DOI:10.1021/acs.jpcb.7b02445.
  • D. Ghosh, Multiscale modelling: hybrid quantum mechanics/molecular mechanics as an example and some recent developments, Current Science., 112(7), 1455 - 1462 (2017).
  • Avinash Kumbhar, Sakharam B. Tayade, Vishal Mahesh Dhavale, Sreekumar Kurungot, Evamarie Hey-Hawkins, Peter Lönnecke And Bhalchandra Pujari , Proton Conduction in a Hydrogen-Bonded Complex of Copper(II)-Bipyridine Glycoluril Nitrate, Dalton Transactions., Just Accepted Manuscript, (2017), DOI:10.1039/x0xx00000x.
  • Samia Boulahneche , Roxana Jijie , Alexandre Barras , Fereshteh Chekin , Santosh K Sing , Julie Bouckaert , MOHAMED SALEH MEDJRAM , Sreekumar Kurungot And Sabine Szunerits and Rabah Boukherroub , On demand electrochemical release of drugs from porous reduced graphene oxide modified flexible electrodes, Journal of Materials Chemistry B., Just Accepted Manuscript, (2017), DOI:10.1039/C7TB00687J.
  • G. Jaiswal, V. Landge, D. Jagadeesan* And E. Balaraman*, Iron-based Nanocatalyst for the Acceptorless Dehydrogenation Reactions, Nature Communications., Accepted, (2017).
  • Vidyanand Vijayakumar,   Bihag Anothumakkool,   Arun Torris A. T.,   Sanoop B Nair,   Manohar V Badiger And Sreekumar Kurungot, An all-solid-state-supercapacitor possessing a non-aqueous gel polymer electrolyte prepared using UV-assisted in-situ polymerization strategy, Journal of Materials Chemistry A., Just Accepted Manuscript, (2017), DOI:10.1039/C7TA01514C.
  • Amit Kumawat, Suman Chakrabarty* And Kiran Kulkarni*, Nucleotide Dependent Switching in Rho GTPase: Conformational Heterogeneity and Competing Molecular Interactions, Scientific Reports., 7, 45829 (2017), DOI:10.1038/srep45829.
  • Roby Soni, Alka Raveendran And Sreekumar Kurungot , Grafoil-Scotch Tape-Derived Highly Conducting Flexible Substrate and its Application as a Supercapacitor Electrode, Nanoscale., Just Accepted, (2017), DOI:10.1039/C7NR00281E.
  • Santosh K. Singh, Sreekumar Kurungot, Vishal M. Dhavale, Rabah Boukherroub And Sabine Szunerits, N-doped Porous Reduced Graphene Oxide as an Efficient Electrode Material for High Performance Flexible Solid-state Supercapacitor, Applied Materials Today., , (2017), DOI:Just Accepted.
  • Yogita Shirke and Shatabdi Porel Mukherjee* , Selective Synthesis of WO3 and W18O49 Nanostructures: Ligand-free pH-Dependent Morphology Controlled Self-assembly of Hierarchical Architecture from 1D Nanostructure and Sunlight-driven Photocatalytic Degradation, CrystEngComm (Accepted)., , (2017), DOI:10.1039/C6CE02518H.
    IF 3.849
  • Puspanjali Sahu, Jayesh Shimpi, Han Ju Lee, T. Randall Lee And Bhagavatula L V Prasad, Digestive Ripening of Au Nanoparticles by Multidentate Ligands, Langmuir., 33, 1943 - 1950 (2017), DOI:10.1021/acs.langmuir.6b03998.
    Just Accepted...
  • Somnath M. Kashid, Geun Young Jin, Suman Chakrabarty*, Yung Sam Kim* And Sayan Bagchi*, Two-Dimensional Infrared Spectroscopy Reveals Cosolvent-Composition-Dependent Crossover in Intermolecular Hydrogen-Bond Dynamics, J. Phys. Chem. Lett., 8, 1604 - 1609 (2017), DOI:10.1021/acs.jpclett.7b00270.
  • Thirumalaiswamy Raja*, Shatabdi Porel Mukherjee*, Marimuthu Prabu And Yogita Manikrao Shirke, Structural study and single step aerobic oxidation of cyclohexane to adipic acid over Mn-W oxide nano structures, Invention disclosure, NCL NO. 2017-NF-0025 dated January 24, 2017; CSIR No 2017-NF-0025 (application No 201711007873) with Provisional filling date March 07, 2017., , (2017).
  • P. N. Anantharamaiah And P. A. Joy, Tuning of the magnetostrictive properties of cobalt ferrite by forced distribution of substituted divalent metal ions at different crystallographic sites, Journal of Applied Physics., 121, 093904 (2017), DOI:10.1063/1.4977758.
  • P. N. Anantharamaiah And P. A. Joy, High magnetostriction parameters of sintered and magnetic field annealed Ga-substituted CoFe2O4, Materials Letters., 192, 169 - 172 (2017), DOI:10.1016/j.matlet.2016.12.031.
  • B. Manjunath, P. Thakuria And P. A. Joy, Structural, magnetic, dielectric and magnetodielectric properties of Bi1-xCaxFe1-xMnxO3 in the morphotropic phase boundary region, Materials Research Express., 4, 016104 (2017), DOI:10.1088/2053-1591/aa5686.
  • Susanta Das, Sailaja Krishnamurty And Sourav Pal, Melting and Catalytic Behavior of Aluminum Nano-Clusters by Successive Substitution of Gallium Impurities, Submitted to J Phys Chem., , (2017).
  • Achintya Dutta, Nayana Vaval And Sourav Pal, Assessment of low scaling approximations to EOM-CCSD method for ionization potential, To be submitted., , (2017).
  • Aryya Ghosh, Sourav Pal And Nayana Vaval, Lifetime for the Auger Decay of Double Core Hole States Using Equation-of-Motion Coupled Cluster Method, To be submitted., , (2017).
  • Sudip Sasmal, Kaushik Talukdar, Malaya Nayak, Nayana Vaval And Sourav Pal, Electron-nucleus scalar-pseudoscalar interaction in PbF: Z-vector study in the relativistic coupled-cluster framework, Submitted to Mol. Phys., , (2017).
  • Aryya Ghosh, Sourav Pal And Nayana Vaval, Auger decay rates of core hole states using equation of motion coupled cluster method, Chemical Physics., 482, 160 - 164 (2017).
  • Neharika G. Chamachi And Suman Chakrabarty, Temperature-Induced Misfolding in Prion Protein: Evidence of Multiple Partially Disordered States Stabilized by Non-Native Hydrogen Bonds, Biochemistry., 56, 833 - 844 (2017), DOI:10.1021/acs.biochem.6b01042.
  • R. Bakthavatsalam And J. Kundu*, Galvanic Replacement Based Cu2O Self-templating Strategy for the Synthesis and Application Of Cu2O–Ag Heterostructures, Monometallic (Ag), and Bimetallic (Au-Ag) Hollow Mesocages, CrystEngComm., , (2017), DOI:10.1039/C7CE00110J.
  • S. Ratha, D. Vernekar, K. Sivaneri, D. Jagadeesan* And C. S. Rout*, Iron-carbon nanocomposite as environmentally benign electrode for supercapacitor applications, Journal of Solid State Electrochemisry., , (2017), DOI:10.1007/s10008-017-3537-z.
  • Reman Kumar Singh, Neharika G. Chamachi, Suman Chakrabarty* And Arnab Mukherjee*, Mechanism of Unfolding of Human Prion Protein, J. Phys. Chem. B., 121, 550 - 564 (2017), DOI:10.1021/acs.jpcb.6b11416.
  • D. Ghosh, Hybrid Equation-of-Motion Coupled-Cluster/Effective Fragment Potential Method: A Route toward Understanding Photoprocesses in the Condensed Phase, J. Phys. Chem. A (Feature Article)., 121(4), 741 - 752 (2017), DOI:10.1021/acs.jpca.6b08263.
    Invited Feature Article and Cover Page
  • Bisht, R.; Munavvar M. M. K.; Singh, A. K.; Nithyanandhan And J, Panchromatic sensitizer for dye-sensitized solar cells: Un-symmetrical squaraine dyes incorporating benzodithiophene ?-spacer with alkyl chains to extend conjugation, control the dye assembly on TiO2 and retard charge recombination, J. Org. Chem., Manuscript accepted, xxxx - xxxx (2017), DOI:10.1021/acs.joc.6b02670.
  • D.Prabhu, P. Le Griel, S. Roelants, E. Redant, I. N. A. V. Bogaert, S. Prevost, B. L. V. Prasad And N. Baccile, Micelles vs. ribbons: How congeners drive the self-assembly of acidic sophorolipid biosurfactants, Chem.Phys.Chem., , (2017), DOI:10.1002/cphc.201601323R1.
    Just Accepted
  • Houcem Maaoui, Santosh K. Singh, Florina Teodoresu, Yannick Coffinier, 1 Alexandre Barras, 1 Radhouane Chtourou, Sreekumar Kurungot, Sabine Szunerits And Rabah Boukherroub , Copper oxide supported on three-dimensional ammonia-doped porous reduced graphene oxide prepared through electrophoretic deposition for non-enzymatic glucose sensing, Electrochimica Acta., 224, 346 - 354 (2017), DOI:10.1016/j.electacta.2016.12.078.
  • D. Prabhu And B. L. V. Prasad, Self - Assemblies of Bolaamphiphilic Molecules, Chem Rec., 17, 1 - 15 (2017).
    Personal Account; Invited review
  • Vijay Beniwal And Anil Kumar , Understanding positive and negative deviations in polarity of ionic liquid mixtures by pseudo-solvent approach, Phys. Chem. Chem. Phys., 18, 23853 - 23863 (2016).
  • Somnath M. Kashid, Pranab Deb, Tapas Haldar And Sayan Bagchi*, Stretching IR spectroscopy to an extra dimension enables experimental visualization of ultrafast chemical exchange processes, International Conference on Fibre Optics and Photonics 2016., paper Th2A.3, (2016), DOI:Optical Society of America.
  • Jhumur Seth, Devadutta Nepak, Vijay R. Chaudhari And Bhagavatula L.V. Prasad, Preparation of MgO supported platinum nanoparticle catalyst using toluene dispersed platinum sol, Applied Surface Science., , (2016), DOI:10.1016/j.apsusc.2016.12.058.
    In Press...
  • P. N. Anantharamaiah And P. A. Joy, Enhancing the strain sensitivity of CoFe2O4 at low magnetic fields without affecting the magnetostriction coefficient by substitution of small amounts of Mg for Fe, Physical Chemistry Chemical Physics., 18, 10516 - 10527 (2016), DOI:10.1039/c6cp00369a.
  • R. Lenin And P. A. Joy, Role of Primary and Secondary Surfactant Layers on the Thermal Conductivity of Lauric Acid Coated Magnetite Nanofluids, Journal of Physical Chemistry C., 120, 11640 - 11651 (2016), DOI:10.1021/acs.jpcc.5b12476.
  • Vedi Kuyil Azhagan Muniraj, Chaitanya Krishna Kamaja And Manjusha V. Shelke*, RuO2·nH2O Nanoparticles Anchored on Carbon Nano-onions: An Efficient Electrode for Solid State Flexible Electrochemical Supercapacitor, ACS Sustainable Chemistry & Engineering., 4, 2528 - 2534 (2016).
  • Chaitanya Krishna Kamaja, Rami Reddy Devarapalli, Yasha Dave, Joyashish Debgupta And Manjusha V. Shelke*, Synthesis of novel Cu2S nanohusks as high performance counter electrode for CdS/CdSe sensitized solar cell, Journal of Power Sources., 315, 277 - 283 (2016).
  • Indrapal Karbhal, Rami Reddy Devarapalli, Joyashish Debgupta, V. K. Pillai, Pulickel M. Ajayan And Manjusha V. Shelke*, Facile Green Synthesis of BCN Nanosheets as High-Performance Electrode Material for Electrochemical Energy Storage, Chemistry A European Journal., 22, 7134 - 7140 (2016).
  • Anukul K. Thakur, R B Choudhary, Mandira Majumder, Govind Gupta And Manjusha V. Shelke, Enhanced electrochemical performance of polypyrrole coated MoS2 nanocomposites as electrode material for supercapacitor application, Journal of Electroanalytical Chemistry., 782, 278 - 287 (2016).
  • Rami Reddy Devarapalli, Sabine Szunerits, Yannick Coffinier, Manjusha V. Shelke And Rabah Boukherroub , Glucose Derived Porous Carbon Coated Silicon Nanowires as Efficient Electrodes for Aqueous Micro-Supercapacitors, ACS Applied Materials & Interfaces., 8, 4298 - 4302 (2016).
  • Yogesh Gawli, Abhik Banerjee, Dipti Dhakras, Meenal Deo, Dinesh Bulani, Prakash Wadgaonkar, Manjusha Shelke And S. Ogale , 3D Polyaniline Architecture by Concurrent Inorganic and Organic Acid Doping for Superior and Robust High Rate Supercapacitor Performance, Scientific Reports., 6, 21002 (2016).
  • Satish S Badadhe, Sachin R Suryawanshi, Rounak A Naphade, Minakshi V Chaudhary, Mahendra A More, Manjusha V Shelke And S.B. Ogale , Synthesis, microstructure, optical and field emission studies of iron vanadium oxide nanosheets, Journal of Physics D: Applied Physics., 49, 49 145301 (2016).
  • Sudip Sasmal, Kaushik Talukdar, Malaya Nayak, Nayana Vaval And Sourav Pal, Calculation of hyperfine structure constants of small molecules using Z-vector method in the relativistic coupled-cluster framework, Journal of Chemical Sciences., 128, 1671 - 1675 (2016).
  • Tumpa Sadhukhan, Bipasa Samanta, Shaz Ali And Sourav Pal , Theoretical Study of C-X [X = Cl, Br] Bond Activation on Aluminum Nanocluster, Theoretical Chemistry Accounts., 135, 234 (2016).
  • Manzoor Dar, Sailaja Krishnamurty And Sourav Pal, Contriving a Catalytically Active Structure From an Inert Conformation: A Density Functional Investigation of Al, Hf and Ge Doping on Au20 Tetrahedral Cluster, J. Phys Chem C., 120, 19636 - 19641 (2016).
  • Vidhika Sharma, Mohit Prasad, S. Jadkar And Sourav Pal, Influence of carbon and phosphorus doping on electronic properties of ZnO, Journal of Materials Science: Materials in Electronics., , (2016).
    (In Press)
  • Santosh K. Singh, Deepak Kumar, Vishal M. Dhavale, Sourav Pal And Sreekumar Kurungot, Strategic Preparation of Efficient and Durable NiCo-alloy Supported N-Doped Porous Graphene as an Oxygen Evolution Electrocatalyst: A Theoretical and Experimental Investigation, Advanced Materials Interfaces., , (2016).
    (In Press)
  • Deepak Kumar, Sourav Pal And Sailaja Krishnamurty, N2 Activation on Al Metal Clusters: Catalyzing role of BN-doped Graphene Support, Physical Chemistry Chemical Physics., 18, 27721 - 27727 (2016).
  • Sudip Sasmal, Himadri Pathak, Malaya Nayak, Nayana Vaval And Sourav Pal, Relativistic coupled-cluster study of RaF as a candidate for parity and time reversal violating interaction, Phys. Rev. A., 93, 062506 (2016).
  • Himadri Pathak, Sudip Sasmal, Malaya K. Nayak, Nayana Vaval And Sourav Pal, Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: Application to ionization potential, J. Chem. Phys., 145, 074110 (2016).
  • Gaurav Bhattacharjee, Nilesh Choudhary, Asheesh Kumar, Suman Chakrabarty* And Rajnish Kumar*, Effect of the amino acid L-histidine on methane hydrate growth kinetics, Journal of Natural Gas Science and Engineering., 35, 1453 - 1462 (2016), DOI:10.1016/j.jngse.2016.05.052.
  • P. Gurunathan, A. Acharya, D. Ghosh, D. Kosenkov, I. Kaliman, Y. Shao, A. I. Krylov And L. V. Slipchenko, The Extension of the Effective Fragment Potential Method to Macromolecules, J. Phys. Chem. B., 120(27), 6562 - 6574 (2016).
  • Karjule, N.; Munavvar, F. M. K.; Nithyanandhan And J, Heterotriangulene-based unsymmetrical squaraine dyes: synergistic effects of donor moieties and outof-plane branched alkyl chains on dye cell performance, J. Mater. Chem. A., 4, 18910 (2016).
    (Selected for themed collection of 2016 Journal of Materials Chemistry A HOT Papers)
  • Singh, Y.; Raj, A. M.; Kiran, B. M.; Nithyanandhan, J.; Ramamurthy, V.; Jayaraman And N, A dendrimer facilitates resonance energy transfer between hydrophobic aromatic guest molecules in water, J. Photochem. Photobiol A Chem., 317, 125 - 131 (2016).
  • Ananthan, A.; Munavvar, F. M. K.; Punitharasu, V.; Sil, M. C.; Nithyanandhan And J, Effect of out-of-plane alkyl group’s position in dye sensitized solar cell efficiency: A structure-property relationship utilizing indoline based unsymmetrical squaraine dyes, ACS Applied Mater. Interfaces., 8, 35353 (2016), DOI:10.1021/acsami.6b12730.
  • B. Busupalli, S. Battu, S. K. Haram And B. L. V. Prasad, In situ Electrochemical Transformation of Ni?S? and Ni?S?-Ni from Sheets to Nanodisks: Towards Efficient Electrocatalysis for Hydrogen Evolution Reaction (HER), Chemistry Select., 1, 6708 - 6712 (2016).
  • Mrityunjay K. Tiwari and Kumar Vanka, Exploiting directional long range secondary forces for regulating electrostatic-dominated noncovalent interactions:, Chemical science,advanced article., , (2016), DOI:10.1039/C6SC03642B.
  • Somnath Ghosh, Hemanta Deka, Yuvraj B. Dangat, Soumen Saha, Kuldeep Gogoi And Kumar Vanka and Biplab Mondal, Reductive nitrosylation of nickel(II) complex by nitric oxide followed by nitrous oxide release, Dalton trans., 45, 10200 - 10208 (2016), DOI:10.1039/C6DT00826G.
  • S. K. Kumar, G. Kumaraswamy, B.L.V. Prasad, R. Bandyopadhyaya, S. Granick, O. Gang, V. N. Manoharan And D. Frenkel and N. Kotov, Nanoparticle Assembly: A Perspective and Some Unanswered Questions, Curr. Sci., , (2016).
  • Asis K. Jana, Kedar B. Batkulwar, Mahesh J. Kulkarni* And Neelanjana Sengupta*, Glycation induces conformational changes in Amyloid-? peptide and enhances its aggregation propensity: molecular insights, Phys. Chem. Chem. Phys., , (2016), DOI:10.1039/C6CP05041G.
  • Kedar B. Batkulwar, Asis K. Jana, Rashmi K. Godbole, Puneet Khandelwal, Neelanjana Sengupta And Mahesh J. Kulkarni* , Hydralazine inhibits Amyloid beta (A?) aggregation, glycation and ameliorates A?1-42 induced neurotoxicity, RSC Advances., , (2016), DOI:10.1039/C6RA20225J.
  • T. Palaniselvam, V. Kashyap, S. N. Bhange J. B. Baek And S. Kurungot, Nanoporous graphene enriched with Fe/Co-N active sites as a promising oxygen reduction electrocatalyst for anion exchange membrane fuel cells, Advanced Functional Materials., 13, 2150 - 2162 (2016), DOI:10.1002/adfm.201504765.
  • Varchaswal Kashyap, Santosh K. Singh And Sreekumar Kurungot, Cobalt Ferrite bearing Nitrogen Doped Reduced Graphene Oxide Layers Spatially Separated with Microporous Carbon as Efficient Oxygen Reduction Electrocatalyst, ACS Appl. Mater. Interfaces., 8(32), 20730 - 20740 (2016), DOI:10.1021/acsami.6b05416.
  • Harshitha Barike Aiyappa, Jayshri Thote, Digambar Balaji Shinde, Rahul Banerjee And Sreekumar Kurungot, Cobalt modified Covalent Organic Framework as a robust water oxidation electrocatalyst, Chem. Mater., 28(12), 4375 - 4379 (2016), DOI:10.1021/acs.chemmater.6b01370.
  • Manik Bhosale, Rajith Illathvalappil, Sreekumar Kurungot And Kothandam Krishnamoorthy , Conjugated porous polymer as precursor for electrocatalyst and storage electrode material, Chem. Commun., 52(2), 316 - 318 (2016), DOI:DOI:10.1039/C5CC08148C.
  • Digambar Balaji Shinde, Harshitha Barike Aiyappa, Mohitosh BhadraBishnu P. Biswal, Pritish Wadge, Sharath Kandambeth, Bikash Garai, Tanay Kundu, Sreekumar Kurungot And Rahul Banerjee, A Mechanochemically Synthesized Covalent Organic Framework as Proton-conducting Solid Electrolyte, J. Mater. Chem. A., 4, 2682 - 2690 (2016), DOI:10.1039/C5TA10521H.
  • Barun Dhara, Subrahmanyam Sappati, Santosh K Singh, Sreekumar Kurungot, Prasenjit Ghosh And Nirmalya Ballav, Coordination Polymers of Fe(III) and Al(III) Ions with TCA Ligand: Distinctive Fluorescence, CO2 Uptake, Redox-Activity and Oxygen Evolution Reaction, Dalton Transactions., 45(16), 6901 - 6908 (2016), DOI:10.1039/C6DT00009F.
  • Siddheshwar N Bhange, Sreekuttan Maraveedu Unni And Sreekumar Kurungot , Nitrogen and Sulphur Co-doped Crumbled Graphene for Oxygen Reduction Reaction with Improved Activity and Stability in Acidic Medium, Journal of Materials Chemistry A., 6(14), 6014 - 6020 (2016), DOI:10.1039/C6TA00073H.
  • Sukhendu Mandal, Debraj Sarkar, Purnachandra Rao, Harshitha Barike Aiyappa, Sreekumar Kurungot, Sudip Mandal And Kothandaraman Ramanujam , Multifunctional Copper Dimer: Structure, Band Gap Energy, Catalysis, Magnetism, Oxygen Reduction Reaction and Proton Conductivity, RSC Advances., 6(44), 37515 - 37521 (2016), DOI:10.1039/C6RA05961A.
  • Sanjog S. Nagarkar, Bihag Anothumakkool, Aamod V. Desai, Mandar M Shirolkar, Sreekumar Kurungot And Sujit K. Ghosh, High Hydroxide Conductivity in a Chemically Stable Crystalline Metal-Organic Framework Containing Water-Hydroxide Supramolecular Chain, Chem. Commun., 52, 8459 - 8462 (2016), DOI:10.1039/C6CC04436K.
  • Leena K George , Athira K Kunhikannan , Rajith Illathvalappil , Divya Ottoor , Chithra H Manikandan , Sreekumar Kurungot And R. Nandini Devi, Understanding electron transfer process in ZnO-naphthol azobenzoic acid composites from photophysical characterisations, Phys. Chem. Chem. Phys., 18(32), 22179 - 22187 (2016), DOI:10.1039/C6CP02908F.
  • Sreekuttan Maraveedu Unni, Leena K George, Siddheshwar N Bhange, R. Nandini Devi And Sreekumar Kurungot , Valorization of Coffee Bean Waste: Coffee Bean Waste Derived Multifunctional Catalyst for Photocatalytic Hydrogen Production and Electrocatalytic Oxygen Reduction Reactions, RSC Advances., 6(85), 82103 - 82111 (2016), DOI:10.1039/C6RA14907C.
  • Sorout Shalini, Vishal M. Dhavale, Kavalakal M. Eldho, Sreekumar Kurungot, Thallaseril G.Ajithkumar And Ramanathan Vaidhyanathan, 1000-fold enhancement in proton conductivity of a MOF using postsynthetically anchored proton transporters, Scientific Reports., 6, 32489 (2016), DOI:10.1038/srep32489.
  • Rajendra Ranguwar, K G Pranav, Tripathi Shalini, Kurungot Sreekumar And Ballav Nirmalya, High-Index Faceted Gold Nanocrystals with Highly-Tunable Dimensions, Surface Plasmons and Electro-Catalytic Activity, Nanoscale., Just Accepted Manuscript, (2016), DOI:10.1039/C6NR06922C.
  • Seema Dharni, Sanchita, Sreekuttan M Unni, Sreekumar Kurungot, Abdul Samad, Ashok Sharma And Dharani Dhar Patra, In vitro and in silico antifungal efficacy of nitrogen doped carbon nanohorn (NCNH) against Rhizoctonia solani, Journal of Biomolecular Structure & Dynamics., 34(1), 152 - 161 (2016), DOI:10.1080/07391102.2015.1018841.
  • Bihag Anothumakkool, Arun Torris A. T., Sajna Veeliyath, Vidyanand Vijayakumar, Manohar Virupax Badiger And Sreekumar Kurungot, High performance flexible solid-state supercapacitor with extended nano regime interface through in situ polymer electrolyte generation, ACS Appl. Mater. Interfaces., 8 (2), 1233 - 1241 (2016), DOI:10.1021/acsami.5b09677.
  • Plawan Kumar Jha, Santosh K. Singh, Suresh Gatla, Sreekumar Kurungot And Nirmalya Ballav, Pb2+?N Bonding Chemistry: Recycling of Polyaniline-Pb Nanocrystals Waste for Generating High-Performance Super-Capacitor Electrodes, J. Phys. Chem. C., 120(2), 911 - 918 (2016), DOI:10.1021/acs.jpcc.5b11217.
  • Pandiaraj Sekar, Bihag Anothumakkoola, Vidyanand Vijayakumar, Apurva Lohgaonkar And Sreekumar Kurungot, Unravelling the mechanism of electrochemical degradation of PANI in supercapacitors: Achieving a feasible solution, ChemElectroChem., 3(6), 933 - 942 (2016), DOI:10.1002/celc.201500502.
  • Dinesh Mullangi, Vishal Dhavale, Sorout Shalini, Shyamapada Nandi, Sean Collins, c Tom Woo*, Sreekumar Kurungot* And Ramanathan Vaidhyanathana* , Low overpotential electrocatalytic water splitting with noble metal-free nanoparticles supported in a sp3 N-rich flexible COF, Advanced Energy Materials., 6(13), (2016), DOI:10.1002/aenm.201600110.
  • Roby Soni, Bihag Anothumakkool And Sreekumar Kurungot, 1-Dimensional Alignment of PEDOT on the CNT Framework in a Buckypaper Mediated by Interfacial Polymerization for High Performance Solid Supercapacitor, ChemElectroChem., 3(9), 1329 - 1336 (2016), DOI:10.1002/celc.201600229.
  • A. Karmakar, R. Illathvalappil, B. Anothumakkool, A. Sen, P. Samanta, A. V. Desai, S. Kurungot And S. K. Ghosh, Hydrogen-Bonded Organic Frameworks: A New Class of Porous Crystalline Proton Conducting Materials, Angew. Chem. Int. Ed., 128(36), 10825 - 10829 (2016), DOI:10.1002/ange.201604534.
  • Santosh K. Singh, Deepak Kumar, Vishal M. Dhavale, Sourav Pal And Sreekumar Kurungot, Strategic Preparation of Efficient and Durable NiCo-alloy Supported N-Doped Porous Graphene as an Oxygen Evolution Electrocatalyst: A Theoretical and Experimental Investigation, Advanced Materials Interfaces., 3(20), (2016), DOI:10.1002/admi.201600532.
  • Fereshteh Chekin, Santosh K. Singh, Alina Mihaela Vasilescu, Vishal M. Dhavale, Sreekumar Kurungot, Rabah Boukherroub And and Sabine Szunerits, Reduced Graphene Oxide Modified Electrodes For Sensitive Sensing of Gliadin in Food Samples, ACS Sensors., Just Accepted Manuscript, (2016), DOI:10.1021/acssensors.6b00608.
  • Prabir Khatura, Jaya C. Jose, Neelanjana Sengupta And Sanjoy Bandyopadhyay*, Conformational features of the A?42 peptide monomer and its interaction with the surrounding solvent, Phys. Chem. Chem. Phys., , (2016), DOI:10.1039/C6CP04925G.
  • Lakshmi Madhuri. P, Krishna Prasad. S, P. Shinde And B.L.V Prasad, Large reduction in the magnitude and thermal variation of Frank elastic constants in a gold nanorod/nematic composite, Journal of Physics D: Applied Physics., 49 (42), 425304 (2016), DOI:10.1088/0022-3727/49/42/425304.
  • Minju Thomas, Rajith Illathvalappil, Sreekumar Kurungot, Balagopal N Nair, Abdul Azeez Peer Mohamed, Gopinathan M. Anilkumar, Takeo Yamaguchi And U. S. Hareesh, Graphene Oxide Sheathed ZIF-8 Microcrystals: Engineered Precursors of Nitrogen-doped Porous Carbon for Efficient Oxygen Reduction Reaction (ORR) Electrocatalysis, ACS Appl. Mater. Interfaces., Just Accepted Manuscript, (2016), DOI:10.1021/acsami.6b06979.
  • S. Gupta, V. K. Jain And D. Jagadeesan*, Fine tuning the composition and nanostructure of Fe-based core-shell nanocatalyst for efficient CO2 hydrogenation, ChemNanoMat., 2, 989 - 996 (2016), DOI:10.1002/cnma.201600234.
  • D Sengupta, M Joshi, CA Athale And A Chattopadhyay, What Can Simulations Tell Us About GPCRs: Integrating the Scales, Met. Cell Biol., 132, 429 - 452 (2016).
  • X Prasanna, M. Jafurulla, D Sengupta And A Chattopadhyay, The Ganglioside GM1 Interacts with the Serotonin1A Receptor via the Sphingolipid Binding Domain, BBA – Biomembranes, Biochim. Biophys. Acta (Biomembranes)., 1858, 2818 - 2826 (2016).
  • A Chaudhuri, X Prasanna, P Agiru, H Chakraborty, A Rydström, JCS Ho, C Svanborg, D Sengupta And A Chattopadhyay, Protein-dependent Membrane Interaction of A Partially Disordered Protein Complex with Oleic Acid: Implications for Cancer Lipidomics, Sci. Rep., 6, (2016).
  • A Tandale, M Joshi And D Sengupta, Structural insights and functional implications of inter-indi­­­vidual variability in Beta2-adrenergic receptor, Sci. Rep., 6, 24379 (2016).
  • X Prasanna, D Sengupta And A Chattopadhyay, Cholesterol-dependent conformational plasticity in GPCR dimers, Sci. Rep., 6, 31858 (2016).
  • G. Jaiswal, V. Landge, D. Jagadeesan* And E. Balaraman*, Sustainable Iron-catalyzed direct imine formation by acceptorless dehydrogenative coupling of alcohols with amines, Green Chemistry., 18, 3232 - 3238 (2016), DOI:10.1039/C6GC00565A (Highlighted in CHemInform - Ketone Derivatives, 2016 DOI: 10.1002/chin.201642163).
  • D. Jagadeesan*, Multifunctional nanocatalysts for tandem reactions: A leap toward sustainability, Applied Catalysis A: General., 511, 59 - 77 (2016), DOI:10.1016/j.apcata.2015.11.033 (Highlighted in CHemInform - Applied Chemistry, 2016 DOI: 10.100//chin.201612296).
  • S. Venkatesh, D. Vernekar, G. Jaiswal, D. Jagadeesan* And R. Sai Sathish*, Earth Abundant Iron-rich N-doped Graphene Based Spacer and Cavity Materials for Surface Plasmon-Coupled Emission Enhancements, ACS Applied Materials & Interfaces., 8, 12324 - 12329 (2016), DOI:10.1021/acsami.5b12038.
  • Neharika G. Chamachi And Suman Chakrabarty*, Replica Exchange Molecular Dynamics Study of Dimerization in Prion Protein: Multiple Modes of Interaction and Stabilization, J. Phys. Chem. B., 120, 7332 - 7345 (2016), DOI:10.1021/acs.jpcb.6b03690.
  • Vrushali R Hande And Suman Chakrabarty*, Exploration of the Presence of Bulk-like Water in AOT Reverse Micelles and Water-in-Oil Nanodroplets: Role of Charged Interface, Confinement Size and Water Properties, Physical Chemistry Chemical Physics., 18, 21767 - 21779 (2016), DOI:10.1039/C6CP04378J.
  • Amit Sureshrao Nagare, Arpan Manna And Anil Kumar, Can a Diels-Alder Reaction Accelerate in a Supersaturated Solvent at Room Temperature?, New J. Chem., , (2016), DOI:10.1039/C6NJ01912A.
  • Turbasu Sengupta And Sourav Pal, Radical attached aluminum nanoclusters: an alternative way of cluster stabilization, Physical Chemistry Chemical Physics., 18, 21746 - 21759 (2016).
  • Achintya Dutta, Nayana Vaval And Sourav Pal, Assessment of low scaling approximations to EOM-CCSD method for ionization potential, To be communicated., , (2016).
  • Madhulita Das, B. K. Sahoo And Sourav Pal, Plasma-screening effects on the electronic structure of multiply charged Al ions using Debye and ionsphere models, Phys. Rev. A., 93, 052513 (2016).
  • Susanta Das, Sailaja Krishnamurty And Sourav Pal, Melting and Catalytic Behavior of Aluminum Nano–Clusters by Successive Substitution of Gallium Impurities, Submitted to J Phys Chem., , (2016).
  • Turbasu Sengupta, Susanta Das And Sourav Pal, Transition Metal Doped Aluminum Clusters: An Account of Spin, submitted to J. Phys. Chem C., 120 (18), 10027 - 10040 (2016).
  • Mudit Dixit, Dan Thomas Major And Sourav Pal, Hydrogen adsorption in ZIF-7: A DFT and ab initio molecular dynamics study, Chemical Physics Letters., 651, 178 - 182 (2016).
  • Shyamapada Nandi, Santosh Kumar Singh, Dinesh Mullangi, Rajith Illathvalappil, Leena George, Chathakudath P. Vinod, Sreekumar Kurungot And Ramanathan Vaidhyanathan, Low Band Gap Benzimidazole COF Supported Ni3N as Highly Active OER Catalyst, Advanced Energy Materials., Just Accepted Manuscript, (2016), DOI:10.1002/aenm.201601189.
  • D. Prabhu, N. Parekh, T. V. K. Reddy, G. S. Rani, B. L. A. Prabhavathi Devi And B. L. V. Prasad, Self- Assembly of Isomannide-based Monoesters of C18-Fatty Acids and their Cellular Uptake Studies, RSC Adv., 6, 72074 - 72079 (2016).
  • Gitanjali Rai, Preeti Jain And Anil Kumar, Isothermal Titration Calorimetric Study of the Ionic Liquid Solutions in Alcohols in Extreme Dilutions: An Investigation of Ion-Solvent Interactions, J Solution Chem., , (2016).
  • J. Seth And B. L. V. Prasad, Bromide ion mediated modification to digestive ripening process: Preparation of ultra-small Pd, Pt, Rh and Ru nanoparticles, Nano Res., 9, 2007 - 2017 (2016).
  • R. Jadhav, S. Bhide, B. L. V. Prasad, B. Kunchiraman, J. Shimpi And U. Nandhini, Silver Nanoparticles: A New Perspective in Endodontic therapy, The IIOAB Journal., 7, 77 - 81 (2016).
  • S. G. Surya, A. Narayana, S. Mishra, A. R. B. Karthik, A. B. Sastry, B. L. V. Prasad, D. Rangappa And V. Ramgopal Rao, H2S detection using low-cost SnO2 Nano-particle Bi-layer OFETs, Sens. Actuators, B., 235, 378 - 385 (2016).
  • Ujjwal Kumar Nandi, Atreyee Banerjee, Suman Chakrabarty And Sarika Maitra Bhattacharyya, Composition dependence of the glass forming ability in binary mixtures: The role of demixing entropy, J. Chem. Phys., 145, 034503 (2016), DOI:10.1063/1.4958630.
  • A. Ghodbane, W. B. Fellows, J. R. Bright, D. Ghosh, N. Saffon, L. M. Tolbert, S. Fery-Forgues And K. M. Solntsev, Effects of the Benzoxazole Group on Green Fluorescent Protein Chromophore Crystal Structure and Solid State Photophysics, J. Materials Chem. C., 4, 2793 - 2801 (2016).
    Selected as : J Materials Chem C Hot papers
  • S. Bose, S. Chakrabarty And D. Ghosh*, Effect of Solvation on Electron Detachment and Excitation Energies of a Green Fluorescent Protein Chromophore Variant, J. Phys. Chem. B., 120, 4410 - 4420 (2016), DOI:10.1021/acs.jpcb.6b03723.
  • Tapas Haldar, Somnath M Kashid, Pranab Deb, Sandeep Kesh And Sayan Bagchi*, Pick and Choose the Spectroscopic Method to Calibrate the Local Electric Field inside Proteins, J. Phys. Chem. Lett., 7, 2456 - 2460 (2016).
  • Pranab Deb, Tapas Haldar, Somnath M Kashid, Subhrashis Banerjee, Suman Chakrabarty* And and Sayan Bagchi*, Correlating Nitrile IR Frequencies to Local Electrostatics Quantifies Noncovalent Interactions of Peptides and Proteins, J. Phys. Chem. B., 120, 4034 - 4046 (2016).
  • Tapas Haldar And Sayan Bagchi*, Electrostatic Interactions Are Key to C=O n-pi* Shifts: An Experimental Proof, J. Phys. Chem. Lett., 7, 2270 - 2275 (2016).
  • S Shenoy, U Gupta, DS Narang, DJ Late, UV Waghmare And CNR Rao, Electronic structure and properties of layered GaTe, Chemical Physics Letters., 651, 148 - 164 (2016).
  • AS Pawbake, MS Pawar, SR Jadkar And DJ Late, Large area chemical vapor deposition of monolayer transition metal dichalcogenides and their temperature dependent Raman spectroscopy studies, Nanoscale., 8 (5), 3008 - 3018 (2016).
  • BK Gupta, G Kedawat, P Kumar, S Singh, SR Suryawanshi And N Agrawal, Field emission properties of highly ordered low-aspect ratio carbon nanocup arrays, RSC Advances., 6 (12), 9932 - 9939 (2016).
  • CNR Rao, KS Subrahmanyam, HSSR Matte And B Abdulhakeem, A study of the synthetic methods and properties of graphenes, Science and Technology of Advanced Materials., , (2016).
  • AS Pawbake, R Waykar, DJ Late And SR Jadkar, Highly Transparent Wafer Scale Synthesis of Crystalline WS2 Nanoparticle Thin Film for Photodetector and Humidity Sensing Applications, ACS Applied Materials & Interfaces., 8 (5), 3359 - 3365 (2016).
  • P Borade, KU Joshi, A Gokarna, G Lerondel, P Walke And D Late, Synthesis and self-assembly of dumbbell shaped ZnO sub-micron structures using low temperature chemical bath deposition technique, Materials Chemistry and Physics., 169, 152 - 157 (2016).
  • SR Suryawanshi, SN Guin, V Kashid, MA More, DJ Late And K Biswas, Low frequency noise and photosensitive field emission from ultrathin PbBi2Se4 nanosheets, Journal of Materials Chemistry., C 4 (5), 1096 - 1103 (2016).
  • RP Panmand, YA Sethi, RS Deokar, DJ Late, HM Gholap, B J And BB Kale, In situ fabrication of highly crystalline CdS decorated Bi2S3 nanowires (nano-heterostructure) for visible light photocatalyst application, RSC Advances., 6 (28), 23508 - 23517 (2016).
  • SR Suryawanshi, AS Pawbake, MS Pawar, SR Jadkar, MA More And DJ Late, Enhanced field emission behavior of layered MoSe2, Materials Research Express., , (2016).
  • KK Naik, RT Khare, MA More, DJ Late And CS Rout, Glucose sensing and low-threshold field emission from MnCo2O4 nanosheets, RSC Advances., 6 (35), 29734 - 29740 (2016).
  • PS More, DJ Late And SB Kondawar, Classification and study of near-surface region of active material for gas detection using x-ray photoelectron spectroscopy, Advanced Materials Letters., 7 (4), 330 - 336 (2016).
  • VS Bagal, GP Patil, AB Deore, SR Suryawanshi, DJ Late And MA More, Surface modification of aligned CdO nanosheets and their enhanced field emission properties, RSC Advances., , (2016).
  • SR Suryawanshi, MA More And DJ Late, Exfoliated 2D black phosphorus nanosheets: Field emission studies, J. Vac. Sci. Technology., B 34 (4), (2016).
  • MB Erande, M Pawar And DJ Late, Humidity Sensing and Photodetection Behavior of Electrochemically Exfoliated Atomically Thin-Layered Black Phosphorus Nanosheets, ACS Applied Materials & Interfaces., 8 (18), 11548 - 11556 (2016).
  • DJ Late , Liquid Exfoliation of Black Phosphorus Nanosheets and its Application as Humidity Sensor, Microporous and Mesoporous Materials., 225, 494 - 503 (2016).
  • SR Kadam, SR Suryawanshi, RP Panmanda And VR Mate, Architecture of 2D MoS2 nanosheets and 3D CdMoS4 marigold flowers: Consequence of annealing on field emission performance, Microporous and Mesoporous Materials., 225, 573 - 579 (2016).
  • GP Patil, VS Bagal, SR Suryawanshi, DJ Late, MA More And PG Chavan, Observation of enhanced field emission properties of Au/TiO2 nanocomposite, Applied Physics., 122 (5), 1 - 11 (2016).
  • UV Patil, A Pawbake, LGB Machuno, RV Gelamo, SR Jadkar And CS Rout, Effect of Plasma treatment on multilayer Graphene: X-Ray Photoelectron Spectroscopy, Surface morphology investigations and work function measurements, RSC Advances., 6, 48843 - 48850 (2016).
  • GP Patil, AB Deore, VS Bagal, DJ Late, MA More And PG Chavan, Low turn-on field and high field emission current density from Ag/TiO 2 nanocomposite, Chemical Physics Letters., , (2016).
  • Vijay Gupta, V. U. Bhaskara Rao, Tamal Das, Kumar Vanka And and Ravi Prakash Singh, Intramolecular dehydrogenative coupling of 2,3-diaryl acrylic compounds: Access to substituted phenanthrenes, J. Org. Chem., Just Accepted Manuscript, (2016), DOI:10.1021/acs.joc.6b00507.
  • V. S. V. S. N. Swamy, Sandeep Yadav, Shiv Pal, Tamal Das And Kumar Vanka* and Sakya S. Sen*, Facile access to a Ge(II) dication stabilized by isocyanides, Chemical Communications., Advance Article, (2016), DOI:10.1039/C6CC03789E.
  • Subhash P. Chavan, * Harshali S. Khatod And Tamal Das and Kumar Vanka, 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 Adv., 6, 50721 - 50725 (2016), DOI:10.1039/C6RA03192G.
  • Dangat Yuvraj, Rizvi Masood Ahmad, Pandey Pippalad And Vanka Kumar, Exploring activity differences between the hydroformylation catalysts: Insights from theory, Journal of Organometallic Chemistry., 801, 30 - 41 (2016), DOI:10.1016/j.jorganchem.2015.10.015.
  • Jana Asis K , Tiwari Mrityunjay K , Vanka Kumar And Sengupta Neelanjana, Unraveling origins of the heterogeneous curvature dependence of polypeptide interactions with carbon nanostructures, Physical Chemistry Chemical Physics., 18, 5910 - 5924 (2016), DOI:10.1039/C5CP04675K.
  • Dangat Yuvraj And Vanka Kumar, Exploring the reducing role of boron: added insights from theory, Dalton Transaction., 45, 5978 - 5988 (2016), DOI:10.1039/C5DT03799A.
  • Amrita Pal And Kumar Vanka, Small Molecule Activation by Constrained Phosphorus Compounds: Insights from Theory, Inorganic Chemistry., 55(2), 558 - 565 (2016), DOI:10.1021/acs.inorgchem.5b01074.
  • Khake, Shrikant M.; Jagtap, Rahul A.; Dangat, Yuvraj B.; Gonnade, Rajesh G.; Vanka, Kumar; Punji And Benudhar, Mechanistic Insights into Pincer- Ligated Palladium- Catalyzed Arylation of Azoles with Aryl Iodides: Evidence of a Pd(II) - Pd(IV) - Pd(II) Pathway, Organometallics., 35(6), 875 - 886 (2016), DOI:10.1021/acs.organomet.6b00003.
  • Halder Arjun , Kandambeth Sharath Biswal, Bishnu P , Kaur Gagandeep , Roy Neha Chaki , Addicoat Matthew , Salunke Jagadish K , Banerjee Subhrashis , Vanka Kumar , Heine Thomas And et al, Decoding the Morphological Diversity in Two-Dimensional Crystalline Porous Polymers by Core Planarity Modulation, Angewandte Chemie., , (2016), DOI:10.1002/anie.201600087.
  • Gawade Rupesh L, Chakravarty Debamitra K , Kotmale Amol, Sangtani Ekta , Joshi Pranaya V, Ahmed Awais , Mane Manoj V , Das Susanta , Vanka Kumar , Rajamohanan Pattuparambil R , Vedavati G. Puranik And Rajesh G. Gonnade, Additive Mediated Syn- Anti Conformational Tuning at Nucleation to Capture Elusive Polymorphs: Remarkable Role of Extended ?- Stacking Interactions in Driving the Self- Assembly, Crystal Growth & Design., 16(4), 2416 - 2428 (2016), DOI:10.1021/acs.cgd.6b00204.
  • Jugal Kumawat, Dr. Virendra Kumar Gupta And Dr. Kumar Vanka, Effect of Donors on the Activation Mechanism in Ziegler–Natta Catalysis: A Computational Study, ChemCatChem., 8, 1809 - 1818 (2016), DOI:10.1002/cctc.201600281.
  • Pranab Deb, Tapas Haldar, Somnath M Kashid, Subhrashis Banerjee, Suman Chakrabarty* And Sayan Bagchi*, Correlating Nitrile IR Frequencies to Local Electrostatics Quantifies Noncovalent Interactions of Peptides and Proteins, Journal of Physical Chemistry B., 120, 4034 - 4046 (2016), DOI:10.1021/acs.jpcb.6b02732.
  • Samik Bose, Suman Chakrabarty And Debashree Ghosh, Effect of Solvation on Electron Detachment and Excitation Energies of a GFP Chromophore Variant, Journal of Physical Chemistry B., 120, 4410 - 4420 (2016), DOI:10.1021/acs.jpcb.6b03723.
  • P. R. Pandey, D. Prabhu, B. L. V. Prasad And S. Roy, Structural Insight into Self Assembly of Sophorolipids: A Molecular Dynamics Simulation Study, Zeitschrift für Physikalische Chemie., 230, 819 - 836 (2016).
  • Debayan Chakraborty, Neelanjana Sengupta And David J. Wales*, Conformational Energy Landscape of the Ritonavir Molecule, J. Phys. Chem. B., , (2016), DOI:10.1021/acs.jpcb.5b12272.
  • Tobias Feldner, Marleen Häring, Subhadeep Saha, Jordi Esquena, Rahul Banerjee And David Diaz Diaz, Supramolecular Metallogel that Impart Self-Healing Properties to Other Gel Networks, Chem. Mater., , (2016), DOI:10.1021/acs.chemmater.6b01144.
  • Vijay Beniwal, Arpan Manna And Anil Kumar, Spectacular Rate Enhancement of the Diels–Alder Reaction at the Ionic Liquid/n-Hexane Interface, ChemPhysChem., 17, 1 (2016).
  • Sachin Thawarkar, Nageshwar D. Khupse And Anil Kumar, Comparative Investigation of the Ionicity of Aprotic and Protic Ionic Liquids in Molecular Solvents by using Conductometry and NMR Spectroscopy, ChemPhysChem., 17, 1006 (2016).
  • Preeti Jain And Anil Kumar , Concentration-dependent apparent partition coefficients of ionic liquids possessing ethyl- and bi-sulphate anions, Phys Chem Chem Phys., 18, 1105 (2016).
  • H Pathak, S Sasmal, MK Nayak, N Vaval And S Pal, Relativistic equation-of motion coupled-cluster method for the electron attachment problem, Comput & Theor Chemistry., 1076, 94 - 100 (2016).
  • Sudip Sasmal, Himadri Pathak, Malaya K. Nayak, Nayana Vaval And and Sourav Pal, Search for parity and time reversal violating effects in HgH: Relativistic coupled-cluster study, J. Chem. Phys., 144, 124307 (2016).
  • Sudip Sasmal, Himadri Pathak, Malaya K. Nayak, Nayana Vaval And Sourav Pal, Search for parity and time reversal violating effects in HgH: Relativistic coupled-cluster study, J. Chem. Phys., 144, 124307 (2016).
  • Susanta Das, Turbasu Sengupta, Achintya Dutta And Sourav Pal, Electron Detachment and Subsequent Structural Changes of Water Clusters, J. Phys. Chem. A., 120, 1065 - 1073 (2016).
  • Himadri Pathak, Sudip Sasmal, Malaya K. Nayak, Nayana Vaval And Sourav Pal, Relativistic equation-of-motion coupled-cluster method for the electron attachment problem, Computational and Theoretical Chemistry., 1076, 94 - 100 (2016).
  • Dar Manzoor, Sailaja Krishnamurty And Sourav Pal, Endohedrally Doped Gold Nanocages: Efficient Catalysts for O2 Activation and CO Oxidation, Phys. Chem. Chem. Phys., 18, 7068 (2016), DOI:10.1039/C5CP05624A.
  • Bihag Anothumakkool, Ishita Agrawal, Siddheshwar N. Bhange, Roby Soni, Onkar S. Game, Satishchandra B. Ogale And Sreekumar Kurungot, Pt- and TCO-free flexible cathode for DSSC from highly conducting and flexible PEDOT paper prepared via in-situ interfacial polymerization, ACS Appl. Mater. Interfaces., 8(1), 553 - 562 (2016), DOI:10.1021/acsami.5b09579.
  • Bikash Garai, Arijit Mallick And Rahul Banerjee, Photochromic Metal-Organic Frameworks for Inkless and Erasable Printing, Chem. Sci., 7, 2195 - 2200 (2016), DOI:10.1039/C5SC04450B.
  • Shouvik Mitra, Sharath Kandambeth, Bishnu P. Biswal, Abdul Khayum M., Chandan Kumar Choudhury, Mihir Mehta, Gagandeep Kaur, Subhrashis Banerjee, Asmita A. Prabhune, Sandeep Verma, Sudip Roy, Ulhas K. Kharul And Rahul Banerjee, Self-Exfoliated Guanidniium-Based Ionic Covalent Organic Nanosheets (iCONs), J. Am. Chem. Soc., 138, 2823 - 2828 (2016), DOI:10.1021/jacs.5b13533.
    Highlighted in C&EN News Selected for Spotlights on Recent JACS Publications
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