Follow
Vivek Kumar Yadav
Vivek Kumar Yadav
Assistant Professor of Chemistry, Allahabad University, India
Verified email at allduniv.ac.in - Homepage
Title
Cited by
Cited by
Year
Theory of anomalous diffusion impedance of realistic fractal electrode
R Kant, R Kumar, VK Yadav
The Journal of Physical Chemistry C 112 (11), 4019-4023, 2008
502008
Recent advances in the carrier mobility of two-dimensional materials: A theoretical perspective
SH Mir, VK Yadav, JK Singh
ACS Omega 5 (24), 14203-14211, 2020
402020
A first principles simulation study of vibrational spectral diffusion and hydrogen bond fluctuations in aqueous solution of N-methylacetamide
VK Yadav, A Chandra
Journal of Physical Chemistry B 119 (30), 9858–9867, 2015
312015
A first-principles theoretical study of hydrogen-bond dynamics and vibrational spectral diffusion in aqueous ionic solution: Water in the hydration shell of a fluoride ion
JR Choudhuri, VK Yadav, A Karmakar, BS Mallik, A Chandra
Pure and Applied Chemistry 85 (1), 27-40, 2012
262012
Tunable two-dimensional interfacial coupling in molecular heterostructures
B Xu, H Chakraborty, VK Yadav, Z Zhang, ML Klein, S Ren
Nature communications 8 (1), 1-11, 2017
202017
A first principles simulation study of vibrational spectral diffusion in aqueous NaBr solutions: Dynamics of water in ion hydration shells
A Karmakar, JR Choudhuri, VK Yadav, BS Mallik, A Chandra
Chemical Physics 412, 13-21, 2013
202013
Boron-carbon-nitride sheet as a novel surface for biological applications: insights from density functional theory
SH Mir, VK Yadav, JK Singh
ACS Omega 4 (2), 3732-3738, 2019
192019
Dynamics of hydrogen bonds and vibrational spectral diffusion in liquid methanol from first principles simulations with dispersion corrected density functional
V Kumar Yadav, A Chandra
Chemical Physics 415, 1-7, 2013
172013
A first principles molecular dynamics study of vibrational spectral diffusion and hydrogen bond dynamics in liquid methanol
VK Yadav, A Karmakar, JR Choudhuri, A Chandra
Chemical Physics 408, 36-42, 2012
172012
A computational study of structural, electronic and carrier mobility of boron and phosphorus/nitrogen co-doped graphene
VK Yadav, SH Mir, JK Singh
Physica B: Condensed Matter 571, 291-295, 2019
142019
Dynamics of supercritical methanol of varying density from first principles simulations: Hydrogen bond fluctuations, vibrational spectral diffusion, and orientational relaxation
VK Yadav, A Chandra
The Journal of Chemical Physics 138 (22), 224501, 2013
142013
Fe3O4-Functionalized Boron Nitride Nanosheets as Novel Adsorbents for Removal of Arsenic (III) from Contaminated Water
RS Bangari, VK Yadav, JK Singh, N Sinha
ACS Omega 5 (18), 10301-10314, 2020
132020
Defect-enriched tunability of electronic and charge-carrier transport characteristics of 2D borocarbonitride (BCN) monolayers from ab initio calculations
VK Yadav, H Chakraborty, ML Klein, UV Waghmare, CNR Rao
Nanoscale 11 (41), 19398-19407, 2019
122019
Density functional theory study of aspirin adsorption on BCN sheets and their hydrogen evolution reaction activity: a comparative study with graphene and hexagonal boron nitride
VK Yadav, SH Mir, JK Singh
ChemPhysChem 20, 687-694, 2019
122019
Phonons and Thermal Conducting Properties of Borocarbonitride (BCN) Nanosheets
H Chakraborty, S Mogurampelly, VK Yadav, UV Waghmare, ML Klein
Nanoscale 10, 22148-22154, 2018
112018
Novel anti-tubulin agents from plant and marine origins: insight from a molecular modeling and dynamics study
U Yadava, VK Yadav, RK Yadav
RSC advances 7 (26), 15917-15925, 2017
102017
Probing the dynamics of N-methylacetamide in methanol via ab initio molecular dynamics
VK Yadav, ML Klein
Physical Chemistry Chemical Physics 19 (20), 12868-12875, 2017
102017
Bioactive products from singlet oxygen photooxygenation of cannabinoids
AG Osman, KM Elokely, VK Yadav, P Carvalho, M Radwan, D Slade, ...
European Journal of Medicinal Chemistry 143, 983-996, 2018
82018
A Simple Molecular Design for Tunable Two-Dimensional Imine Covalent Organic Frameworks for Optoelectronic Applications
VK Yadav, S Mir, V Mishra, TG Gopakumar, JK Singh
Physical Chemistry Chemical Physics 22, 21360-21368, 2020
62020
Unraveling the stacking effect and stability in nanocrystalline antimony through DFT
SH Mir, VK Yadav, JK Singh
Journal of Physics and Chemistry of Solids 136, 109156, 2020
62020
The system can't perform the operation now. Try again later.
Articles 1–20