| Experimental and Theoretical Infrared Spectroscopic Study on Hydrated Nafion Membrane RK Singh, K Kunimatsu, K Miyatake, T Tsuneda Macromolecules 49, 6621 − 6629, 2016 | 67 | 2016 |
| Theoretical Investigation of the H2O2‑Induced Degradation Mechanism of Hydrated Nafion Membrane via Ether-Linkage Dissociation T Tsuneda, RK Singh, A Iiyama, K Miyatake ACS Omega 2, 4053-4064, 2017 | 39 | 2017 |
| Tautomeric forms of adenine: vertical ionization energies and Dyson orbitals RK Singh, JV Ortiz, MK Mishra International Journal of Quantum Chemistry 110 (10), 1901-1915, 2010 | 33 | 2010 |
| Reaction Energetics on Long-Range Corrected Density Functional Theory: Diels–Alder Reactions RK Singh, T Tsuneda Journal of Computational Chemistry 34 (5), 379–386, 2013 | 31 | 2013 |
| On Low-Lying Excited States of Extended Nanographenes T Tsuneda, RK Singh, A Nakata Journal of Computational Chemistry DOI: 10.1002/jcc.24846, 2017 | 20 | 2017 |
| Relationship between orbital energy gaps and excitation energies for long-chain systems T Tsuneda, RK Singh, A Nakata Journal of Computational Chemistry, 2016 | 19 | 2016 |
| Reactivity Index Based on Orbital Energies T Tsuneda, RK Singh Journal of Computational Chemistry 35, 1093-1100, 2014 | 19 | 2014 |
| Effect of gamma-ray on physio-biochemical parameters of sugarcane RK Singh, P Chandra, J Singh, DN Singh Journal of Nuclear Agriculture and Biology;(India) 22 (2), 1993 | 17 | 1993 |
| Copper(II) andNickel(II) Complexes ofTridentate Hydrazide andSchiff Base Ligands Containing Phenyl andNaphthalyl Groups: Synthesis, Structural, Molecular Docking andDensity … N Noorussabah, M Choudhary, N Das, B Mohan, K Singh, RK Singh, ... Journal of Inorganic and Organometallic Polymers and Materials, 2020 | 14* | 2020 |
| Insights into geometries, stabilities, electronic structures, reactivity descriptors, and magnetic properties of bimetallic NimCun–m (m = 1, 2; n = 3–13) clusters: Comparison … RK Singh, T Iwasa, T Tetsuya Journal of Computational Chemistry, DOI: 10.1002/jcc.25361, 2018 | 12 | 2018 |
| Theoretical investigation of local proton conductance in the proton exchange membranes RK Singh, T Tsuneda, K Miyatake, M Watanabe Chemical Physics Letters 608, 11-16, 2014 | 10 | 2014 |
| Tautomeric forms of azolide anions: vertical electron detachment energies and Dyson orbitals J Melin, RK Singh, MK Mishra, JV Ortiz The Journal of Physical Chemistry A 111 (50), 13069-13074, 2007 | 10 | 2007 |
| Diagrams for comprehensive molecular orbital-based chemical reaction analyses: reactive orbital energy diagrams T Tsuneda, RK Singh, PK Chattaraj Physical Chemistry Chemical Physics 20 (20), 14211-14222, 2018 | 9 | 2018 |
| Electronic structure analysis and vertical ionization energies of thiophene and ethynylthiophenes RK Singh, MK Mishra Journal of Chemical Sciences 121, 867-872, 2009 | 8 | 2009 |
| Hydration, Prediction of the p K a, and Infrared Spectroscopic Study of Sulfonated Polybenzophenone (SPK) Block-Copolymer Hydrocarbon Membranes and Comparisons with Nafion S Singh, T Taketsugu, RK Singh ACS Omega 6, 32739−32748, 2021 | 7 | 2021 |
| An examination of density functionals on aldol, Mannich and α-aminoxylation reaction enthalpy calculations RK Singh, T Tsuneda, K Hirao Theoretical Chemistry Accounts 130, 153-160, 2011 | 7 | 2011 |
| Approximate construction of local complex potentials for a time dependent wave packet based treatment of vibrational excitation cross-sections in resonant e-N2, e-CO and e-H2 … RK Singh, M Sarma, MK Mishra Indian J. Phys. 81, 983-1002, 2007 | 7 | 2007 |
| Calculation of vibrational excitation cross-sections in resonant electron-molecule scattering using the time-dependent wave packet (TDWP) approach with application to the 2 Π … RK Singh, M Sarma, A Jain, S Adhikari, MK Mishra Journal of Chemical Sciences 119 (5), 385-389, 2007 | 6 | 2007 |
| Orbital Energy-Based Reaction Analysis of SN2 Reactions T Tsuneda, S Maeda, Y Harabuchi, RK Singh Computation 4 (3), 23, 2016 | 5 | 2016 |
| Investigation of ethynylfurans using the electron propagator theory RK Singh, MK Mishra The Journal of Physical Chemistry A 113 (51), 14150-14155, 2009 | 5 | 2009 |
Anil KumarManager (Technical Training) Biopharmaceutical Services at SGS確認したメール アドレス: sgs.com
