| XUV excitation followed by ultrafast non-adiabatic relaxation in PAH molecules as a femto-astrochemistry experiment MJJVFL A. Marciniak, V. Despré, T. Barillot, A. Rouzée, M.C.E. Galbraith, J ... Nature Communications 6, 7909, 2015 | 98 | 2015 |
| Factors Affecting the Conformational Modulation of Flexible Ligands in the Self-Assembly Process of Coordination Polymers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies of [Co(pda)(bix)]n, [Ni(pda)(bix)(H2O)]n, [Cu(pda)(bix)2(H2O)2]n·8nH2O, [Co2(μ-OH)(pda)(ptz … BK Tripuramallu, P Manna, S Nagaprasad Reddy, SK Das Crystal growth & design 12 (2), 777-792, 2012 | 82 | 2012 |
| First-principles study of the ligand substituent effect on ORR catalysis by metallocorroles S Nagaprasad Reddy, CB Krishnamurthy, I Grinberg The Journal of Physical Chemistry C 124 (21), 11275-11283, 2020 | 28 | 2020 |
| Temperature Dependence of Intramolecular Vibrational Bands in Small Water Clusters NR Samala, N Agmon J. Phys. Chem. B 123, 9428-9442, 2019 | 27 | 2019 |
| Control of molecular catalysts for oxygen reduction by variation of pH and functional groups A Friedman, N Reddy Samala, HC Honig, M Tasior, DT Gryko, L Elbaz, ... ChemSusChem 14 (8), 1886-1892, 2021 | 24 | 2021 |
| Theoretical study on molecules of interstellar interest. I. Radical cation of noncompact polycyclic aromatic hydrocarbons SN Reddy, S Mahapatra The Journal of Physical Chemistry A 117 (36), 8737-8749, 2013 | 21 | 2013 |
| Comment on a spurious prediction of a non-planar geometry for benzene at the MP2 level of theory NR Samala, KD Jordan Chemical Physics Letters 669, 230-232, 2017 | 19 | 2017 |
| Thermally Induced Hydrogen-Bond Rearrangements in Small WaterClusters and the Persistent Water Tetramer NagaprasadReddySamalaandNoamAgmon ACS Omega 4, 22581−22590, 2019 | 17 | 2019 |
| Theoretical study on molecules of interstellar interest. II. Radical cation of compact polycyclic aromatic hydrocarbons SN Reddy, S Mahapatra The Journal of Physical Chemistry B 119 (34), 11391-11402, 2015 | 15 | 2015 |
| Influence of the substituents on the electronic and electrochemical properties of a new square-planar Nickel-Bis (quinoxaline-6, 7-dithiolate) system: synthesis, spectroscopy … R Bolligarla, SN Reddy, G Durgaprasad, V Sreenivasulu, SK Das Inorganic Chemistry 52 (1), 66-76, 2013 | 13 | 2013 |
| Tuning of ORR activity through the stabilization of the adsorbates by hydrogen bonding with substituent groups NR Samala, I Grinberg Physical Chemistry Chemical Physics 22 (47), 27811-27817, 2020 | 11 | 2020 |
| Structure, spectroscopy, and dynamics of the phenol-(water) 2 cluster at low and high temperatures NR Samala, N Agmon The Journal of Chemical Physics 147 (23), 2017 | 10 | 2017 |
| Biomimetic Fe–Cu porphyrrole aerogel electrocatalyst for oxygen reduction reaction Y Persky, Ł Kielesiński, SN Reddy, N Zion, A Friedman, HC Honig, ... ACS Catalysis 13 (16), 11012-11022, 2023 | 9 | 2023 |
| The protonated water trimer and its giant Fermi resonances NR Samala, N Agmon Chemical Physics, 2018 | 9 | 2018 |
| Understanding hydrazine oxidation electrocatalysis on undoped carbon TY Burshtein, K Tamakuwala, M Sananis, I Grinberg, NR Samala, ... Physical Chemistry Chemical Physics 24 (17), 9897-9903, 2022 | 8 | 2022 |
| Theoretical study of electronic absorption spectroscopy of propadienylidene molecule vis-â-vis the observed diffuse interstellar bands SN Reddy, S Mahapatra Chemical Physics 403, 1-11, 2012 | 8 | 2012 |
| Vibronic Coupling in the X̃2Πg–Ã2Πu Band System of Diacetylene Radical Cation A Ghosh, SN Reddy, SR Reddy, S Mahapatra The Journal of Physical Chemistry A 120 (40), 7881-7889, 2016 | 5 | 2016 |
| Optimal initiation of electronic excited state mediated intramolecular H-transfer in malonaldehyde by UV-laser pulses KR Nandipati, H Singh, SN Reddy, KA Kumar, S Mahapatra The European Physical Journal D 68, 355, 2014 | 5 | 2014 |
| Influence of strong bromine binding complexing agent in electrolytes on the performance of hydrogen/bromine redox flow batteries M Küttinger, K Saadi, T Faverge, NR Samala, I Grinberg, D Zitoun, ... Journal of Energy Storage 70, 107890, 2023 | 4 | 2023 |
| Origin of the Rarely Reported High Performance of Mn‐doped Carbon‐based Oxygen Reduction Catalysts N Reddy Samala, I Grinberg ChemSusChem 15 (18), e202200795, 2022 | 3 | 2022 |
