引用次数
引用: 101
H-指数: 6
I10-指数 : 4
出版物: 19
Hydrogen and Deuterium Molecular Escape from Clathrate Hydrates: “Leaky” Microsecond-Molecular-Dynamics Predictions
Mohammad Reza Ghaani , Niall J. English , Yogeshwaran Krishnan
Journal of Physical Chemistry C
2021
Electric-Field Control of Neon Uptake and Release to and from Clathrate Hydrates
Yogeshwaran Krishnan , Mohammad Reza Ghaani , Niall J. English
The Journal of Physical Chemistry C 123 ( 45) 27554 -27560
9
2019
Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
Yogeshwaran Krishnan , Aaron Byrne , Niall J. English
Journal of Visualized Experiments ( 155)
2020
Analysis of Molecular Interaction of Drugs within β-Cyclodextrin Cavity by Solution-State NMR Relaxation.
Deepak Kumar , Yogeshwaran Krishnan , Manikandan Paranjothy , Samanwita Pal
Journal of Physical Chemistry B 121 ( 13) 2864 -2872
17
2017
Theoretical study of perbenzoate anion decomposition pathways in the gas phase
Yogeshwaran Krishnan , Pranay Rajbangshi , Manikandan Paranjothy
International Journal of Mass Spectrometry 428 8 -14
2018
Hydrogen Inter-Cage Hopping and Cage Occupancies inside Hydrogen Hydrate: Molecular-Dynamics Analysis
Yogeshwaran Krishnan , Mohammad Reza Ghaani , Arnaud Desmedt , Niall J. English
Applied Sciences 11 ( 1) 282
1
2020
Vibrational Study of Iodide-Based Room-Temperature Ionic-Liquid Effects on Candidate N719-Chromophore/Titania Interfaces for Dye-Sensitised Solar-Cell Applications from Ab-Initio Based Molecular-Dynamics Simulation
Yogeshwaran Krishnan , Aaron Byrne , Niall English
Energies 11 ( 10) 2570
1
2018
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
Aaron Byrne , Yogeshwaran Krishnan , Niall J. English
Journal of Physical Chemistry C 122 ( 46) 26464 -26471
2018
Influence of external static and alternating electric fields on self-diffusion of water from molecular dynamics
Stephanie J. Boyd , Yogeshwaran Krishnan , Mohammad Reza Ghaani , Niall J. English
Journal of Molecular Liquids 327 114788
1
2021
Classical Dynamics Simulations of Dissociation of Protonated Tryptophan in the Gas Phase
Yogeshwaran Krishnan , Nishant Sharma , Upakarasamy Lourderaj , Manikandan Paranjothy
Journal of Physical Chemistry A 121 ( 23) 4389 -4396
1
2017
Oxygen-evolution reactions (OER) on transition-metal-doped Fe 3 Co (PO 4) 4 iron-phosphate surfaces: a first-principles study
Yogeshwaran Krishnan , Sateesh Bandaru , Niall J English
Catalysis Science \& Technology 11 ( 13) 4619 -4626
4
2021
Ultralow Fe instigated defect engineering of hierarchical N--Porous carbon for highly efficient electrocatalysis
Kiran P Shejale , Yogeshwaran Krishnan , Ranjith Kumar Dharman , Yeon Uk Jeong
Materials \& Design 227 111782
2023
Controlling hydrogen release from remaining-intact Clathrate hydrates by electromagnetic fields: molecular engineering via microsecond non-equilibrium molecular dynamics
Yogeshwaran Krishnan , Patricia Gomez Rosingana , Mohammad Reza Ghaani , Niall J English
RSC advances 12 ( 7) 4370 -4376
1
2022
CURATOR: Building Robust Machine Learning Potentials for Atomistic Simulations Autonomously with Batch Active Learning
Xin Yang , Martin Hoffmann Petersen , Renata Sechi , William Sandholt Hansen
1
2024
Determination of inclusion geometry of cyclodextrin host-guest complexes: Applicability of 1D selective NMR methods
Deepak Kumar , Yogeshwaran Krishnan , Manikandan Paranjothy , Samanwita Pal
Journal of Magnetic Resonance Open 10 100053 -100053
2022
Tetrazole functionalization: A new strategy toward stable ion-solvating polymer electrolytes for alkaline water electrolysis
Dmytro Serhiichuk , Sinu C Rajappan , Yogeshwaran Krishnan , Yifan Xia
2024
Unifying the Oxygen Reduction and Evolution Reaction with Surface Oxygen and Extracting their Intrinsic Activities on Platinum Catalysts
Yogeshwaran Krishnan , Fabian Buchauer , Heine Hansen , Johan Hjelm
2023
Self-Diffusion of Individual Adsorbed Water Molecules at Rutile (110) and Anatase (101) TiO2 Interfaces from Molecular Dynamics
Stephanie J Boyd , Dáire O’Carroll , Yogeshwaran Krishnan , Run Long
Crystals 12 ( 3) 398 -398
2
2022
Classical dynamics simulations of interstellar glycine formation via CH _ 2= NH+ CO+ H _ 2 O CH 2= NH+ CO+ H 2 O reaction
Yogeshwaran Krishnan , Allen Vincent , Manikandan Paranjothy
Journal of Chemical Sciences 129 1571 -1577
6
2017