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Nidhi Vyas
Observed names:
N. Vyas,
NIDHI VYAS,
Vyas, Nidhi
Institution:
SRM Institute of Science and Technology
Observed institutions:
SRM Institute of Science and Technology,
Jawaharlal Nehru University,
Motilal Nehru National Institute of Technology,
Indian Institute of Technology Bombay
ORCID:
0000-0003-0669-9003
Observed ORCID:
0000-0003-0669-9003
OpenAlex ID:
A5067666374
Hydrogen storage in magnesium decorated boron clusters (Mg2Bn, n = 4–14): A density functional theory study
2020
·
Aditya Kumar
, Nidhi Vyas
, et al.
·
International Journal of Hydrogen Energy
·
66
Oxidation of methane by an N-bridged high-valent diiron–oxo species: electronic structure implications on the reactivity
2015
·
Mursaleem Ansari
, Nidhi Vyas
, et al.
·
Dalton Transactions
·
47
PDF
Designing Organic Electron Transport Materials for Stable and Efficient Performance of Perovskite Solar Cells: A Theoretical Study
2021
·
Aditya Kumar
, Saurav Kumar Ojha
, et al.
·
ACS Omega
·
31
Simulation of the Raman spectra of zwitterionic glycine+nH2O (n=1, 2, …, 5) by means of DFT calculations and comparison to the experimentally observed Raman spectra of glycine in aqueous medium
2010
·
Nidhi Vyas
, Animesh K. Ojha
, et al.
·
Vibrational Spectroscopy
·
22
Light and stable LinB14(n=1–5) clusters for high capacity hydrogen storage at room temperature: A DFT study
2021
·
Aditya Kumar
, Saurav K. Ojha
, et al.
·
International Journal of Hydrogen Energy
·
20
Interaction of alanine with small water clusters; Ala–(H2O) (n= 1, 2 and 3): A density functional study
2009
·
Nidhi Vyas
, Animesh K. Ojha
·
Journal of Molecular Structure THEOCHEM
·
19
Deciphering the mechanism of oxygen atom transfer by non-heme Mn IV –oxo species: an ab initio and DFT exploration
2020
·
Asmita Sen
, Nidhi Vyas
, et al.
·
Dalton Transactions
·
18
Structures, bonding and reactivity of iron and manganese high-valent metal-oxo complexes: A computational investigation
2015
·
BHAWANA PANDEY
, AZAJ ANSARI
, et al.
·
Journal of Chemical Sciences
·
18
Interaction of gold nanoclusters of different size with adenine: A density functional theory study of neutral, anionic and cationic forms of [adenine+(Au)n=3,6,9,12] complexes
2012
·
Nidhi Vyas
, Animesh K. Ojha
·
Computational and Theoretical Chemistry
·
18
Engineering a multi epitope vaccine against SARS-CoV-2 by exploiting its non structural and structural proteins
2021
·
Vikrant Singh Rajput
, Ritika Sharma
, et al.
·
Journal of Biomolecular Structure and Dynamics
·
15
PDF
Mechanistic Insights on the Formation of High‐Valent MnIII/IV=O Species Using Oxygen as Oxidant: A Theoretical Perspective
2020
·
Asmita Sen
, Nidhi Vyas
, et al.
·
Israel Journal of Chemistry
·
10
Size dependent structural, electronic, and magnetic properties of ScN (N=2-14) clusters investigated by density functional theory
2014
·
Snehasis Bhunia
, Nidhi Vyas
, et al.
·
Journal of Molecular Modeling
·
10
Gas phase structural stability of neutral and zwitterionic forms of alanine in presence of (H2O)n=1–7 clusters: A density functional theory study
2012
·
Animesh K. Ojha
, Nidhi Vyas
, et al.
·
Computational and Theoretical Chemistry
·
10
Surface‐enhanced Raman measurements and DFT calculations for l ‐tryptophan of varying pH in silver sol
2012
·
Susmita Bhattacharya
, Nidhi Vyas
, et al.
·
Journal of Raman Spectroscopy
·
9
Electronic structure of iron dinitrogen complex [(TPB)FeN 2 ] 2−/1−/0 : correlation to Mössbauer parameters
2020
·
Nidhi Vyas
, Aditya Kumar
, et al.
·
RSC Advances
·
6
PDF
Turning a “useless” ligand into a “useful” ligand: a magneto-structural study of an unusual family of Cu II wheels derived from functionalised phenolic oximes
2015
·
Jamie M. Frost
, Robert J. Stirling
, et al.
·
Dalton Transactions
·
6
Size dependent electron–phonon coupling in Li0.5Co0.1Fe2.4O4 nanoparticles investigated by Raman spectroscopy
2010
·
Manish Srivastava
, Nidhi Vyas
, et al.
·
Vibrational Spectroscopy
·
6
Direct visual evidence of end-on adsorption geometry of pyridine on silver surface investigated by surface enhanced Raman scattering and density functional theory calculations
2015
·
Snehasis Bhunia
, Stefan Forster
, et al.
·
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy
·
4
Investigation on transition States of [Alanine + M2+] (M = Ca, Cu, and Zn) complexes: A quantum chemical study
2011
·
Nidhi Vyas
, Animesh K. Ojha
·
International Journal of Quantum Chemistry
·
4
A study on interaction of Be++, Mg++ and Ca++ with phenylalanine: Binding energies, metal ion affinities and IR signature of complex stability
2010
·
Nidhi Vyas
, Animesh K. Ojha
·
Vibrational Spectroscopy
·
4
Revisiting mechanistic studies on dinitrogen reduction to ammonia by an iron dinitrogen complex as nitrogenase mimic
2019
·
Nidhi Vyas
, Bhawana Pandey
, et al.
·
International Journal of Quantum Chemistry
·
3
Effect of regular hydration on gas phase structural stability of [zwitterionic alanine+M+] (M+=Li+, Na+, K+) complexes: A quantum chemical study
2010
·
Nidhi Vyas
, Animesh K. Ojha
·
Chemical Physics
·
3
Calculation of dissociation constants and chemical hardness of some biologically important molecules: A theoretical study
2010
·
Nidhi Vyas
, Animesh K. Ojha
·
International Journal of Quantum Chemistry
·
2
Exploring the Study on Enhanced Hydrogen Storage Capacity of B 4 Be 2 Cluster: A Computational Approach
2025
·
Aditya Kumar
, Saurav K. Ojha
, et al.
·
ChemistrySelect
·
1
PDF
Computational study of ammonia generation by iron( III ) and iron( IV ) complexes supported by trigonal bipyramidal iron
2021
·
Nidhi Vyas
, Asmita Sen
, et al.
·
International Journal of Quantum Chemistry
·
1
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Works count:
39
Citation count:
353
H-index:
10
I10-index:
13
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