| Experimental and Theoretical Infrared Spectroscopic Study on Hydrated Nafion Membrane RK Singh, K Kunimatsu, K Miyatake, T Tsuneda Macromolecules 49, 6621 − 6629, 2016 | 66 | 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 | 37 | 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 | 19 | 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 | 18 | 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 |
| 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 |
| Evaluation of front line demonstrations to identify adoption gaps in Chickpea production in irrigated conditions of Sriganganagar district RK Singh, RB Gaur, RS Verma, DK Yadava Indian Journal of Pulses Research 13 (1), 28-30, 2000 | 10 | 2000 |
| 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 |
| 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 | 9 | 2014 |
| 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 |
| Krylov subspace solvers in parallel numerical computations of partial differential equations modeling heat transfer applications BV Rathish Kumar, B Kumar, Shalini, M Mehra, P Chandra, ... Numerical Heat Transfer, Part A: Applications 45 (5), 479-503, 2004 | 7 | 2004 |
| 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 |
Anil KumarManager (Technical Training) Biopharmaceutical Services at SGSVerified email at sgs.com
