| Analysis of molecular interaction of drugs within β-cyclodextrin cavity by solution-state NMR relaxation D Kumar, Y Krishnan, M Paranjothy, S Pal The Journal of Physical Chemistry B 121 (13), 2864-2872, 2017 | 26 | 2017 |
| Influence of external static and alternating electric fields on self-diffusion of water from molecular dynamics SJ Boyd, Y Krishnan, MR Ghaani, NJ English Journal of Molecular Liquids 327, 114788, 2021 | 16 | 2021 |
| Hydrogen inter-cage hopping and cage occupancies inside hydrogen hydrate: Molecular-dynamics analysis Y Krishnan, MR Ghaani, A Desmedt, NJ English Applied Sciences 11 (1), 282, 2020 | 12 | 2020 |
| Electric-field control of neon uptake and release to and from clathrate hydrates Y Krishnan, MR Ghaani, NJ English The Journal of Physical Chemistry C 123 (45), 27554-27560, 2019 | 10 | 2019 |
| Controlling hydrogen release from remaining-intact Clathrate hydrates by electromagnetic fields: molecular engineering via microsecond non-equilibrium molecular dynamics Y Krishnan, PG Rosingana, MR Ghaani, NJ English RSC advances 12 (7), 4370-4376, 2022 | 6 | 2022 |
| Hydrogen and deuterium molecular escape from clathrate hydrates:“Leaky” microsecond-molecular-dynamics predictions Y Krishnan, MR Ghaani, NJ English The Journal of Physical Chemistry C 125 (15), 8430-8439, 2021 | 5 | 2021 |
| Oxygen-evolution reactions (OER) on transition-metal-doped Fe 3 Co (PO 4) 4 iron-phosphate surfaces: a first-principles study Y Krishnan, S Bandaru, NJ English Catalysis Science & Technology 11 (13), 4619-4626, 2021 | 5 | 2021 |
| Classical dynamics simulations of interstellar glycine formation via reaction Y Krishnan, A Vincent, M Paranjothy Journal of Chemical Sciences 129, 1571-1577, 2017 | 5 | 2017 |
| Ab Initio Molecular Dynamics Studies of the Effect of Solvation by Room-Temperature Ionic Liquids on the Vibrational Properties of a N719-Chromophore/Titania Interface A Byrne, Y Krishnan, NJ English The Journal of Physical Chemistry C 122 (46), 26464-26471, 2018 | 4 | 2018 |
| Ultralow Fe instigated defect engineering of hierarchical N–Porous carbon for highly efficient electrocatalysis KP Shejale, Y Krishnan, RK Dharman, YU Jeong, SY Kim Materials & Design 227, 111782, 2023 | 3 | 2023 |
| Vibrational Study of Iodide-Based Room-Temperature Ionic-Liquid Effects on Candidate N719-Chromophore/Titania Interfaces for Dye-Sensitised Solar-Cell Applications from Ab … Y Krishnan, A Byrne, NJ English Energies 11 (10), 2570, 2018 | 3 | 2018 |
| Self-Diffusion of Individual Adsorbed Water Molecules at Rutile (110) and Anatase (101) TiO2 Interfaces from Molecular Dynamics SJ Boyd, D O’Carroll, Y Krishnan, R Long, NJ English Crystals 12 (3), 398, 2022 | 2 | 2022 |
| Classical dynamics simulations of dissociation of protonated Tryptophan in the gas phase Y Krishnan, N Sharma, U Lourderaj, M Paranjothy The Journal of Physical Chemistry A 121 (23), 4389-4396, 2017 | 1 | 2017 |
| Tetrazole functionalization: A new strategy toward stable ion-solvating polymer electrolytes for alkaline water electrolysis D Serhiichuk, SC Rajappan, Y Krishnan, Y Xia, MR Kraglund, HA Hansen, ... | | 2024 |
| CURATOR: Building Robust Machine Learning Potentials for Atomistic Simulations Autonomously with Batch Active Learning X Yang, MH Petersen, R Sechi, WS Hansen, SW Norwood, Y Krishnan, ... | | 2024 |
| Unifying the Oxygen Reduction and Evolution Reaction with Surface Oxygen and Extracting their Intrinsic Activities on Platinum Catalysts Y Krishnan, F Buchauer, H Hansen, J Hjelm, B Brandes | | 2023 |
| Determination of inclusion geometry of cyclodextrin host-guest complexes: Applicability of 1D selective NMR methods D Kumar, Y Krishnan, M Paranjothy, S Pal Journal of Magnetic Resonance Open 10, 100053, 2022 | | 2022 |
| Vibrational spectra of a n719-chromophore/titania interface from empirical-potential molecular-dynamics simulation, solvated by a room temperature ionic liquid Y Krishnan, A Byrne, NJ English JoVE (Journal of Visualized Experiments), e60539, 2020 | | 2020 |
| Theoretical study of perbenzoate anion decomposition pathways in the gas phase Y Krishnan, P Rajbangshi, M Paranjothy International Journal of Mass Spectrometry 428, 8-14, 2018 | | 2018 |
