| S.No. |
Faculty |
Title |
Journal |
Volume |
Year |
Contribution |
| |
Dr. Deepash Shekhar Saini |
Structural, Electrical, Impedance, and Modulus Correlation in Magnetoelectric Multiferroic Properties of Sm-doped Nb5+ & Co/Fe substitution in Bi5Ti4O15; n=4 layered Aurivillius |
Journal of Alloys and Compounds |
1014 |
2025 |
Co-author |
| |
Dr. Deepash Shekhar Saini |
The effect of ceramic nanofillers on conductivity and ion-transport behavior in potato starch-based solid bio-polymer electrolyte for advanced energy storage devices |
Ionics |
0 |
2025 |
Corresponding Author |
| |
Dr. Udai Bhan Singh |
Swift Heavy Ion Irradiation Effects on Tungsten Carbide Thin Films |
Journal of Alloys and Compounds |
976 |
2024 |
Co-author |
| |
Dr. Madan Singh Chauhan |
In silico study of inhibition activity of boceprevir drug against 2019-nCoV main protease |
Zeitschrift für Naturforschung C |
NA |
2024 |
Co-author |
| |
Dr. Deepash Shekhar Saini |
Difuse to normal ferroelectric transition in Gd substituted BBTO Aurivillius ceramics |
Applied Physics A |
130 |
2024 |
Co-author |
| |
Dr. Udai Bhan Singh |
Low energy ion irradiation induced Au/Ag multilayer nanostructured substrates for SERS-based molecular sensing |
Optical Materials |
148 |
2024 |
Co-author |
| |
Dr. Deepash Shekhar Saini |
Structural and sensing properties of Sb2O3 SnO2 thick film |
Applied Physics A |
130 |
2024 |
Co-author |
| |
Dr. Shantanu Rastogi |
Optical intraday variability of the blazar S5 0716+ 714 |
Monthly Notices of the Royal Astronomical Society |
527 |
2024 |
Co-author |
| |
Dr. Dipendra Sharma |
In silico study of inhibition activity of boceprevir drug against 2019-nCoV main protease |
Zeitschrift für Naturforschung C |
79 |
2024 |
Corresponding Author |
| |
Dr. Manindra Kumar |
High-temperature variable range hopping conduction and dielectric relaxation in CoFe2O4 ceramic |
Open Ceramics |
17 |
2024 |
Co-author |
| |
Dr. Deepash Shekhar Saini |
Dielectric relaxation and electrical conductivity property correlation in Gd doped BBTO Aurivillius ceramics |
Applied Physics A |
130 |
2024 |
Co-author |
| |
Dr. Deepash Shekhar Saini |
Electron density distribution using maximum entropy method and conductivity studies of BaZr0.85Ho0.10Y0.025Nd0.025O3-d electrolyte ceramic for intermediate temperature solid oxide fuel cells |
Ionics |
30 |
2024 |
Corresponding Author |
| |
Dr. Manindra Kumar |
Conductivity and electrochemical behaviour of CoFe2O4 dispersed potato starch-based solid biopolymer electrolyte for energy application |
Ionics |
30 |
2024 |
Corresponding Author |
| |
Dr. Deepash Shekhar Saini |
High-temperature variable range hopping conduction and dielectric relaxation in CoFe2O4 ceramic |
Open Ceramics |
17 |
2024 |
Corresponding Author |
| |
Dr. Ravi Shankar Singh (On Leave) |
Impacts of different boundary layer parameterization schemes on simulation of meteorology over Himalaya |
Atmospheric Research |
298 |
2024 |
Co-author |
| |
Dr. Deepash Shekhar Saini |
A novel cathode material La0.5Sr0.5Bi0.2Co0.6Fe0.2O3-dfabrication for intermediate temperature solid oxide fuel cells |
AIP Conference Proceedings |
3149 |
2024 |
Co-author |
| |
Dr. Deepash Shekhar Saini |
Conductivity and dielectric studies of spark plasma sintered BaZr0.85Ho0.10Y0.025Nd0.025O3-d electrolyte ceramic for intermediate temperature solid oxide fuel cells |
Ceramics International |
0 |
2024 |
Corresponding Author |
| |
Dr. Vineet Kumar Singh |
Performance analysis of n-TiO2/p-Cu2O, n-TiO2/p-WS2/p-Cu2O, and n-TiO2/p-WS2 heterojunction solar cells through numerical modelling |
Environmental Science and Pollution Research |
30 |
2023 |
Corresponding Author |
| |
Dr. Dipendra Sharma |
Ab-initio and molecular dynamics simulation of a discotic liquid crystal in ionic solution |
Molecular Simulation |
49 |
2023 |
Corresponding Author |
| |
Dr. Ravi Shankar Singh (On Leave) |
MAPbI3-on-CuInSe2 two-terminal monolithically integrated and four-terminal mechanically stacked tandem solar cells: A Theoretical Investigation Using SCAPS-1D |
Results in Optics |
10 |
2023 |
Co-author |
| |
Dr. Umesh Yadava |
Active site determination of novel plant versatile peroxidase extracted from Citrus sinensis and bioconversion of Beta-naphthol |
3 Biotech |
13 |
2023 |
Co-author |
| |
Dr. Vineet Kumar Singh |
MAPbI3-on-CuInSe2 two-terminal monolithically integrated and four-terminal mechanically stacked tandem solar cells: A Theoretical Investigation Using SCAPS-1D |
Results in Optics |
10 |
2023 |
Corresponding Author |
| |
Dr. Dipendra Sharma |
DFT and Molecular Docking Studies of an Antiviral Drug: Molnupiravir |
Indian Journal of Pure and Applied Physics |
61 |
2023 |
Co-author |
| |
Dr. Deepash Shekhar Saini |
Temperature and field-dependent electrical property and energy density correlations studies in KNN modified NBT KBT solid solution ceramics |
Journal of Materials Science: Materials in Electronics |
34 |
2023 |
Co-author |
| |
Dr. Umesh Yadava |
In silico studies on potential inhibitors of SARS-CoV2 |
International Journal of Biological Innovations |
5 |
2023 |
Co-author |
| |
Dr. Dipendra Sharma |
BO2 substituted novel alkyl biphenyl liquid crystalline series: dependence of geometrical and electronic properties on the alkyl chain length |
Theoretical Chemistry Accounts |
142 |
2023 |
Co-author |
| |
Dr. Deepash Shekhar Saini |
Field dependent energy density and induced relaxor ferroelectric to relaxor antiferroelectric property investigation in potassium modified NKBT ST ceramics |
Physica B: Condensed Matter |
653 |
2023 |
Co-author |
| |
Dr. Shantanu Rastogi |
Study of vibrational spectra of polycyclic aromatic hydrocarbons with phenyl side group |
Journal of Molecular Spectroscopy |
391 |
2023 |
Co-author |
| |
Dr. Dipendra Sharma |
Electro Optical Properties of MBBA Liquid Crystal Surrounded by Acetonitrile Medium Enhanced under the Presence of Electric Field: An Ab Initio Study |
Macromolecular Symposia |
407 |
2023 |
Corresponding Author |
| |
Dr. Ambrish Kumar Srivastava |
BO2 substituted novel alkyl biphenyl liquid crystalline series: dependence of geometrical and electronic properties on the alkyl chain length |
Theoretical Chemistry Accounts |
142 |
2023 |
Corresponding Author |
| |
Dr. Deepash Shekhar Saini |
Investigation of Dielectric Relaxor-Like Anomaly Behaviour of Non Ferroelectric BaZrO3 Polycrystalline Ceramic |
Materials Science & Engineering B |
295 |
2023 |
Corresponding Author |
| |
Dr. Shantanu Rastogi |
PAH emission features in star-forming regions and late type stars |
Journal of Astrophysics and Astronomy |
44 |
2023 |
Co-author |
| |
Dr. Dipendra Sharma |
Influence of electric field on the electro-optical and electronic properties of 4-n-alkoxy-4' -cyanobiphenyl liquid crystal series: An application of DFT |
Pramana: Journal of Physics |
97 |
2023 |
Corresponding Author |
| |
Dr. Ambrish Kumar Srivastava |
Molecular Dynamics and Quantum Chemical Studies on Piperine, a Naturally Occurring Alkaloid |
Polycyclic Aromatic Compounds |
0 |
2023 |
First Author |
| |
Dr. Deepash Shekhar Saini |
Grafted magnet C-Mn0.5Bi0.5 with a cohesive C-sp2 spin layer and its impacts on the exchange-coupled magnetic properties |
Journal of Alloys and Compounds |
973 |
2023 |
Co-author |
| |
Dr. Umesh Yadava |
Investigation of ritonavir analogs antiretroviral natural compounds against SARS-CoV-2 envelope protein |
Journal of Biomolecular Structure and Dynamics |
0 |
2023 |
Corresponding Author |
| |
Dr. Shantanu Rastogi |
Photometric and kinematic studies of open cluster NGC 1027 |
Journal of Astrophysics and Astronomy |
44 |
2023 |
Co-author |
| |
Dr. Dipendra Sharma |
Ab-initio, Molecular Docking and MD Simulation of an Anti-HIV Drug (Lamivudine): An In-silico Approach |
Biomedical Materials & Devices |
1 |
2023 |
Corresponding Author |
| |
Dr. Ambrish Kumar Srivastava |
Influence of electric field on the electro-optical and electronic properties of 4-n-alkoxy-4-cyanobiphenyl liquid crystal series |
Pramana |
97 |
2023 |
Co-author |
| |
Dr. Deepash Shekhar Saini |
Conductivity and electrochemical behaviour of CoFe2O4 dispersed potato starch based solid biopolymer electrolyte for energy application |
Ionics |
0 |
2023 |
Co-author |
| |
Dr. Shantanu Rastogi |
Investigating changes in atmospheric aerosols properties over the Indo-Gangetic Plain during different phases of COVID-19-induced lockdowns |
Environmental Science and Pollution Research |
30 |
2023 |
Co-author |
| |
Dr. Shantanu Rastogi |
Insights of Boundary Layer Turbulence Over the Complex Terrain of Central Himalaya from GVAX Field Campaign |
Asia-Pacific Journal of Atmospheric Sciences |
N/A |
2023 |
Co-author |
| |
Dr. Madan Singh Chauhan |
Ab-initio, Molecular Docking and MD Simulation of an Anti-HIV Drug (Lamivudine): An In-silico Approach |
Biomedical Materials & Devices |
NA |
2023 |
Co-author |
| |
Dr. Dipendra Sharma |
First principles study of nonlinear optical, electronic properties and absorption spectra of some anti-HIV drugs: a comparative approach |
Optical and Quantum Electronics |
55 |
2023 |
Corresponding Author |
| |
Dr. Ambrish Kumar Srivastava |
Recent progress on the design and applications of superhalogens |
Chemical Communications |
59 |
2023 |
Sole Author |
| |
Dr. Madan Singh Chauhan |
First principles study of nonlinear optical, electronic properties and absorption spectra of some anti-HIV drugs: a comparative approach |
Optical and Quantum Electronics |
55 |
2023 |
Co-author |
| |
Dr. Prabhunath Prasad |
Decadal trend of black carbon aerosols at a semi-urban location in the central IGP |
Proceeding of IASTA National Conference 2023 (IASTA 2023) |
0 |
2023 |
Co-author |
| |
Dr. Ambrish Kumar Srivastava |
A Simple Strategy to Design Polycyclic Superhalogens |
The Journal of Physical Chemistry A |
127 |
2023 |
Sole Author |
| |
Dr. Madan Singh Chauhan |
Influence of electric field on the electro-optical and electronic properties of 4-n-alkoxy-4 -cyanobiphenyl liquid crystal series: An application of DFT |
Pramana |
97 |
2023 |
Co-author |
| |
Dr. Udai Bhan Singh |
Fractal characterizations of MeV ion treated CaF2 thin films |
Chaos: An Interdisciplinary Journal of Nonlinear Science . |
33 |
2023 |
Co-author |
| |
Dr. Ambrish Kumar Srivastava |
Boronyl-Based Polycyclic Superhalogens |
The Journal of Physical Chemistry A |
127 |
2023 |
Sole Author |
| |
Dr. Madan Singh Chauhan |
Electro-Optical Properties of MBBA Liquid Crystal Surrounded by Acetonitrile Medium Enhanced under the Presence of Electric Field: An Ab Initio Study |
Macromolecular Symposia |
407 |
2023 |
Co-author |
| |
Dr. Manindra Kumar |
Investigation of dielectric relaxor-like anomaly behaviour of non-ferroelectric BaZrO3 polycrystalline ceramic |
Materials Science and Engineering: B |
295 |
2023 |
Co-author |
| |
Dr. Ambrish Kumar Srivastava |
HCF4-n(SO3)n (n=1-4): Designing a new series of organic superacids |
Modern Physics Letters B |
0 |
2023 |
Corresponding Author |
| |
Dr. Madan Singh Chauhan |
Theoretical study of highly efficient all-inorganic Sb2S3-on-Si monolithically integrated (2-T) and mechanically stacked (4-T) tandem solar cells using SCAPS-1D |
Environmental Science and Pollution Research |
30 |
2023 |
Co-author |
| |
Dr. Ravi Shankar Singh (On Leave) |
Multi-directional controlled quantum teleportation by using nine-qubit entangled state as a single quantum channel |
Optical and Quantum Electronics |
55 |
2023 |
Co-author |
| |
Dr. Manindra Kumar |
High-conducting, economical, and flexible polymer-in-salt electrolytes (PISEs) suitable for energy devices: a reality due to glutaraldehyde crosslinked starch as host |
Journal of Solid State Electrochemistry |
27 |
2023 |
Co-author |
| |
Dr. Ambrish Kumar Srivastava |
Docking and MM study of non-structural protein (NS5) of Japanese Encephalitis Virus (JEV) with some derivatives of adenosyl |
Frontiers in Chemistry |
11 |
2023 |
Co-author |
| |
Dr. Madan Singh Chauhan |
MAPbI3-on-CuInSe2 two-terminal monolithically integrated and four-terminal mechanically stacked tandem solar cells: A Theoretical Investigation Using SCAPS-1D |
Results in Optics |
10 |
2023 |
Co-author |
| |
Dr. Ravi Shankar Singh (On Leave) |
Theoretical study of highly efficient all-inorganic Sb2S3-on-Si monolithically integrated (2-T) and mechanically stacked (4-T) tandem solar cells using SCAPS-1D |
Environmental Science and Pollution Research |
30 |
2023 |
Co-author |
| |
Dr. Umesh Yadava |
Synthesis, molecular structure investigation, biological evaluation and docking studies of novel spirothiazolidinones |
Results in Chemistry |
5 |
2023 |
Co-author |
| |
Dr. Ambrish Kumar Srivastava |
Role of central core and methyl substitutions in XH4-x(CH3)x (X= N, P, As; x= 0-4) superalkalis: an ab initio study |
Structural Chemistry |
34 |
2023 |
Corresponding Author |
| |
Dr. Madan Singh Chauhan |
Ab-initio and molecular dynamics simulation of a discotic liquid crystal in ionic solution |
Molecular Simulation |
49 |
2023 |
Co-author |
| |
Dr. Ravi Shankar Singh (On Leave) |
Performance analysis of n-TiO2/p-Cu2O, n-TiO2/p-WS2/p-Cu2O, and n-TiO2/p-WS2 heterojunction solar cells through numerical modelling |
Environmental Science and Pollution |
30 |
2023 |
Co-author |
| |
Dr. Umesh Yadava |
Understanding the self-assembly dynamics of A/T absent ‘four-way DNA junctions with sticky ends’ at altered physiological conditions through molecular dynamics simulations |
PLoS ONE |
18 |
2023 |
Corresponding Author |
| |
Dr. Ravi Shankar Singh (On Leave) |
GlobULeS – V. UVIT/AstroSat studies of stellar populations in NGC 362: detection of blue lurkers in a globular cluster |
Monthly Notices of the Royal Astronomical Society: Letters |
523 |
2023 |
Co-author |
| |
Dr. Umesh Yadava |
Advances in the therapeutic targeting of human matrix metalloproteinases in health and disease [Editorial] |
Frontiers in Molecular Biosciences |
10 |
2023 |
Corresponding Author |
| |
Dr. Ravi Shankar Singh (On Leave) |
Intranight optical variability of blazars and radio-quiet quasars using the ZTF survey |
Monthly Notices of the Royal Astronomical Society |
522 |
2023 |
Co-author |
| |
Dr. Vineet Kumar Singh |
Theoretical study of highly efficient all-inorganic Sb2S3-on-Si monolithically integrated (2-T) and mechanically stacked (4-T) tandem solar cells using SCAPS-1D |
Environmental Science and Pollution Research |
30 |
2023 |
Corresponding Author |
| |
Dr. Madan Singh Chauhan |
Systematic in silico studies of corticosteroids and its binding affinities with glucocorticoid receptor for Covid-19 treatment: Ab-initio, molecular docking and MD simulation studies |
Polycyclic Aromatic Compounds |
43 |
2023 |
Co-author |
| |
Dr. Ravi Shankar Singh (On Leave) |
GlobULeS. IV. UVIT/AstroSat Detection of Extremely Low Mass White Dwarf Companions to Blue Straggler Stars in NGC 362 |
Astrophysical Journal |
943 |
2023 |
Co-author |
| |
Dr. Madan Singh Chauhan |
Numerical investigation of silicon heterojunction solar cell with zinc selenide as electron-selective and nickel oxide as hole-selective contacts |
Optical Materials |
127 |
2022 |
Co-author |
| |
Dr. Ambrish Kumar Srivastava |
M(BO)k +1– Anions: Novel Superhalogens Based on Boronyl Ligands |
The Journal of Physical Chemistry A |
126 |
2022 |
Sole Author |
| |
Dr. Shantanu Rastogi |
Accretion disc sizes from continuum reverberation mapping of AGN selected from the ZTF survey |
Monthly Notices of the Royal Astronomical Society |
511 |
2022 |
Co-author |
| |
Dr. Ravi Shankar Singh (On Leave) |
Simultaneous Quantum Teleportation within a Quantum Network |
International Journal of Theoretical Physics |
61 |
2022 |
Co-author |
| |
Dr. Ambrish Kumar Srivastava |
Superalkalis for the Activation of Carbon Dioxide: A Review |
Frontiers in Physics |
10 |
2022 |
Corresponding Author |
| |
Dr. Shantanu Rastogi |
Investigation of atmospheric turbulence and scale lengths using radiosonde measurements of GVAX-campaign over central Himalayan region |
Journal of Atmospheric and Solar-Terrestrial Physics |
235 |
2022 |
Co-author |
| |
Dr. Vineet Kumar Singh |
Numerical investigation of silicon heterojunction solar cell with zinc selenide as electron-selective and nickel oxide as hole-selective contacts |
Optical Materials |
127 |
2022 |
Corresponding Author |
| |
Dr. Ravi Shankar Singh (On Leave) |
Numerical investigation of silicon heterojunction solar cell with zinc selenide as electron-selective and nickel oxide as hole-selective contacts |
Optical Materials |
127 |
2022 |
Co-author |
| |
Dr. Ambrish Kumar Srivastava |
The role of herbal plants in the inhibition of SARS-CoV-2 main protease: A computational approach |
Journal of the Indian Chemical Society |
99 |
2022 |
First Author |
| |
Dr. Udai Bhan Singh |
Formation of self-organized nano-dimensional structures on InP surfaces using ion irradiation and their wettability: A study based on experimental and theoretical concepts of surface |
Radiation Physics and Chemistry |
199 |
2022 |
Co-author |
| |
Dr. Prabhunath Prasad |
Annual and Inter-annual Variability Coupled with Comparison of MODIS-AERONET Retrieved Aerosol Optical Depth over a Rural Site in the Central Indo-Gangetic Basin |
Aerosol Science and Engineering |
6 |
2022 |
Co-author |
| |
Dr. Vineet Kumar Singh |
Fabrication of n+-poly-Si/p+-c-Si tunnel diode using Low-pressure Chemical Vapor Deposition for Photovoltaic Applications |
Advanced Materials Letters |
13 |
2022 |
Sole Author |
| |
Dr. Ravi Shankar Singh (On Leave) |
Optical flux and colour variability of blazars in the ZTF survey |
Monthly Notices of the Royal Astronomical Society |
510 |
2022 |
Co-author |
| |
Dr. Prabhunath Prasad |
Identification of aerosol types over the central Indo-Gangetic Plain using multi-satellite observations |
URSI Regional Conference on Radio Science (USRI-RCRS) |
N/A |
2022 |
Co-author |
| |
Dr. Umesh Yadava |
A step towards unveiling the nature of three cataclysmic variables: LS Cam, V902 Mon, and SWIFT J0746.3-1608 |
Monthly Notices of the Royal Astronomical Society |
512 |
2022 |
Co-author |
| |
Dr. Umesh Yadava |
SWIFT J0503.7-2819: a nearly synchronous intermediate polar below the period gap? |
Monthly Notices of the Royal Astronomical Society |
517 |
2022 |
Co-author |
| |
Dr. Dipendra Sharma |
Electro-optical, electronic and conformational transitions of interstellar alkyl molecules at different temperatures: An ab-initio study |
Current Research in Green and Sustainable Chemistry |
5 |
2022 |
Corresponding Author |
| |
Dr. Dipendra Sharma |
In Silico Investigation of Electronic Structure, Binding Patterns and Molecular Docking of Nevirapine: An anti-HIV Type-1 Drug |
Polycyclic Aromatic Compounds |
42 |
2022 |
Corresponding Author |
| |
Dr. Ambrish Kumar Srivastava |
On the surface interaction of C60 with superalkalis: a computational approach |
Molecular Physics |
120 |
2022 |
Sole Author |
| |
Dr. Ambrish Kumar Srivastava |
CF4-n(SO3)n (n = 1-4): a new series of organic superhalogens |
Molecular Physics |
120 |
2022 |
Corresponding Author |
| |
Dr. Dipendra Sharma |
Systematic In Silico Studies of Corticosteroids and Its Binding Affinities with Glucocorticoid Receptor for Covid-19 Treatment: Ab-Initio, Molecular Docking and MD Simulation Studies |
Polycyclic Aromatic Compounds |
43 |
2022 |
Corresponding Author |
| |
Dr. Madan Singh Chauhan |
Performance analysis of n-TiO2/p-Cu2O, n-TiO2/p-WS2/p-Cu2O, and n-TiO2/p-WS2 heterojunction solar cells through numerical modelling |
Environmental Science and Pollution Research |
30 |
2022 |
Co-author |
| |
Dr. Ambrish Kumar Srivastava |
X(CH3)k+1+ superalkali cations (X = F, O and N) with methyl ligands |
Chemical Physics Letters |
790 |
2022 |
First Author |
| |
Dr. Ambrish Kumar Srivastava |
Editorial: Superhalogens & Superalkalis: Exploration of structure, properties and applications |
Frontiers in Chemistry |
10 |
2022 |
First Author |
| |
Dr. Dipendra Sharma |
Fluorination of 2, 5-diphenyl-1, 3, 4-oxadiazole enhances the electron transport properties for OLED devices: a DFT analysis |
Phase Transitions |
95 |
2022 |
Corresponding Author |
| |
Dr. Madan Singh Chauhan |
Fluorination of 2,5-diphenyl-1,3,4-oxadiazole enhances the electron transport properties for OLED devices: a DFT analysis |
Phase Transitions |
95 |
2022 |
Co-author |
| |
Dr. Ambrish Kumar Srivastava |
Electronic structures and properties of small (BCN)x (x =1–5) clusters and (BCN)12 nanotube |
Pramana |
96 |
2022 |
Corresponding Author |
| |
Dr. Udai Bhan Singh |
Room temperature fabrication of poly-crystalline Si thin films via Al-induced crystallization under 500 keV Xe+ ion irradiation |
Journal of Applied Physics |
132 |
2022 |
Co-author |
| |
Dr. Dipendra Sharma |
Estimation of Binding Sites of Efavirenz with 3EO9 Receptor: In Silico Molecular Docking and Molecular Dynamics Studies |
Polycyclic Aromatic Compounds |
42 |
2022 |
Corresponding Author |
| |
Dr. Ambrish Kumar Srivastava |
Spectroscopic and Structural Investigations on Novel 6-Amino-3-Phenyl-4-(Pyridin-4-yl)-2,4-Dihydropyrano[2,3-c] Pyrazole-5-Carbonitrile by FT-IR, NMR, Docking, and DFT Methods |
Polycyclic Aromatic Compounds |
42 |
2022 |
Co-author |
| |
Dr. Udai Bhan Singh |
Fabrication and Characterization of Plasmonic Au Nanoparticles on ITO coated glass sheets |
Plasmonics |
17 |
2022 |
Co-author |
| |
Dr. Shantanu Rastogi |
A comparative study of the physical properties for a representative sample of Narrow and Broad-line Seyfert galaxies |
Monthly Notices of the Royal Astronomical Society |
510 |
2022 |
Co-author |
| |
Dr. Umesh Yadava |
Exploration of natural compounds with anti-SARS-CoV-2 activity via inhibition of SARS-CoV-2 Mpro |
Briefings in Bioinformatics |
22 |
2021 |
Co-author |
| |
Dr. Deepash Shekhar Saini |
Impedance and Electric Modulus Spectroscopy of Polycrystalline La0.5Sr0.5Bi0.2Co0.4Fe0.4O3d Cathode Ceramic for Intermediate Temperature SOFCs |
Indian Journal of Pure & Applied Physics (IJPAP) |
59 |
2021 |
Corresponding Author |
| |
Dr. Ambrish Kumar Srivastava |
Structures and Electronic Properties of Small AlnSen (n = 1–5) Clusters |
Proceedings of National Academy of Science, India, Section A Physical Sciences |
91 |
2021 |
Co-author |
| |
Dr. Ambrish Kumar Srivastava |
Structural and electronic properties of 2D activated carbon sheet |
Carbon Letters |
31 |
2021 |
Co-author |
| |
Dr. Ambrish Kumar Srivastava |
Ab initio investigations on the interaction of CO2 and non-metallic superalkalis: structure, stability and electronic properties |
Molecular Physics |
119 |
2021 |
Co-author |
| |
Dr. Umesh Yadava |
Structure-Based Identification of Natural Products as SARS-CoV-2 Mpro Antagonist from Echinacea angustifolia Using Computational Approaches |
Viruses |
13 |
2021 |
Co-author |
| |
Dr. Udai Bhan Singh |
Interface Modification of Fe/Cr/Al magnetic multilayer by Swift Heavy Ion Irradiation |
Surfaces and Interfaces |
26 |
2021 |
Co-author |
| |
Dr. Ambrish Kumar Srivastava |
External electric field modulated second-order nonlinear optical response and visible transparency in hexalithiobenzene |
Journal of Molecular Modeling |
27 |
2021 |
Sole Author |
| |
Dr. Ravi Shankar Singh (On Leave) |
Improvement on quantum teleportation of three and four qubit states using multi-qubit cluster states |
International Journal of Theoretical Physics |
60 |
2021 |
Co-author |
| |
Dr. Ambrish Kumar Srivastava |
DFT and QTAIM studies on the reduction of carbon monoxide by superalkalis |
Journal of Molecular Graphics and Modelling |
102 |
2021 |
Sole Author |
| |
Dr. Udai Bhan Singh |
Influence of heat on dynamics of surface morphology of Cu film: An experimental and theoretical perspective |
Materials Chemistry and Physics |
267 |
2021 |
Corresponding Author |
| |
Dr. Umesh Yadava |
Drug repurposing for ligand-induced rearrangement of Sirt2 active site-based inhibitors via molecular modeling and quantum mechanics calculations |
Scientific reports |
11 |
2021 |
Corresponding Author |
| |
Dr. Ambrish Kumar Srivastava |
Ionization of NO by superhalogens: DFT and QTAIM approaches |
Main Group Chemistry |
20 |
2021 |
Sole Author |
| |
Dr. Udai Bhan Singh |
Surface Erosion of BaF2 thin films under SHI irradiation: Angular Distribution and Role of Different Substrates |
Applied Surface Science |
551 |
2021 |
Co-author |
| |
Dr. Ambrish Kumar Srivastava |
1-Alkyl-3-methylimidazolium belong to superalkalis |
Chemical Physics Letters |
778 |
2021 |
Sole Author |
| |
Dr. Umesh Yadava |
Determination of tyrosinase-cyanidin-3-O-glucoside and (-/+)-catechin binding modes reveal mechanistic differences in tyrosinase inhibition |
Scientific reports |
11 |
2021 |
Corresponding Author |
| |
Dr. Dipendra Sharma |
Molecular structure, spectroscopic (IR, Raman, NMR, UV–vis) and molecular docking studies of an anticancer drug: isoDC81 |
Materials Today: Proceedings |
47 |
2021 |
Corresponding Author |
| |
Dr. Ambrish Kumar Srivastava |
Superhalogens as Building Blocks of Ionic Liquids |
The Journal of Physical Chemistry A |
125 |
2021 |
First Author |
| |
Dr. Dipendra Sharma |
Electronic and electro-optical properties of 5CB and 5CT liquid crystal molecules: A comparative DFT study |
Pramana: Journal of Physics |
95 |
2021 |
First Author |
| |
Dr. Ambrish Kumar Srivastava |
Lithiated Graphene Quantum Dot and its Nonlinear Optical Properties Modulated by a Single Alkali Atom: A Theoretical Perspective |
Inorganic Chemistry |
60 |
2021 |
Sole Author |
| |
Dr. Dipendra Sharma |
DFT study of electro-optical, electronic and thermal properties of 4-n-alkoxy-4'-cynobiphenyl liquid crystal series |
Phase Transitions |
94 |
2021 |
First Author |
| |
Dr. Ambrish Kumar Srivastava |
Editorial: Atomic Clusters: Theory & Experiments |
Frontiers in Chemistry |
9 |
2021 |
First Author |
| |
Dr. Ambrish Kumar Srivastava |
Prediction of Novel Liquid Crystalline Molecule Based on BO2 Superhalogen |
Journal of Molecular Liquids |
344 |
2021 |
Sole Author |
| |
Dr. Manindra Kumar |
Conductivity, Dielectric and Modulus Study of NH4PF6 Based Zwitterionic Polymer Electrolyte |
Recent Innovations in Chemical Engineering |
14 |
2021 |
Corresponding Author |
| |
Dr. Manindra Kumar |
Impedance and Electric Modulus Spectroscopy of Polycrystalline La 0.5 Sr 0.5 Bi 0.2 Co 0. 4 Fe 0.4 O 3–d Cathode Ceramic for Intermediate Temperature SOFCs |
Indian Journal of Pure & Applied Physics (IJPAP) |
59 |
2021 |
Co-author |
| |
Dr. Shantanu Rastogi |
Response of ambient BC concentration across the Indian region to the nation-wide lockdown: results from the ARFINET measurements of ISRO-GBP |
CURRENT SCIENCE |
120 |
2021 |
Co-author |
| |
Dr. Deepash Shekhar Saini |
Structural And Microstructural Study Of La0.5Sr0.5Bi0.2Co0.5Fe0.3O3 Cathode Ceramic For Intermediate Temperature Solid Oxide Fuel Cells |
Solid State Technology |
63 |
2021 |
Corresponding Author |
| |
Dr. Umesh Yadava |
Synthesis, Biological Evaluation and Molecular docking studies of novel quinazolones as antitubercular and antimicrobial agents |
Bioorganic Chemistry |
108 |
2020 |
Co-author |
| |
Dr. Umesh Yadava |
Explorations on the electronic structure and spectroscopic IR assignments of 5-methyl-2-(2-oxopropyl)-pyrazolo[5,1-b]quinazolin-9(3H)-one molecule |
IOP SciNotes |
2 |
2020 |
Corresponding Author |
| |
Dr. Vineet Kumar Singh |
Bulk and interface defects analysis of n-CdS/p-Si heterojunction Solar Cell |
Optical Materials |
111 |
2020 |
Corresponding Author |
| |
Dr. Ambrish Kumar Srivastava |
Structural, spectroscopic analysis of two hexahydroacridine-1,8(2H,5H)-dione derivatives and identification of drug like properties: Experimental and computational study |
Materials Today: Proceedings |
29 |
2020 |
Co-author |
| |
Dr. Ambrish Kumar Srivastava |
Computational study on CH3-functionalized Tetraphenyl-1,4-phenylenediamine: A hole-transporting material for OLED devices |
Materials Today: Proceedings |
29 |
2020 |
Co-author |
| |
Dr. Amit Kumar Singh Chauhan |
Si3N4 nanostructures on reconstructed Si (553) surface |
International jour. of Advanced Research and Technology |
8 |
2020 |
Sole Author |
| |
Dr. Ambrish Kumar Srivastava |
Computational study on 8-quinolinolatoalkali, an electron transporting material for OLED devices |
AIP Conference Proceedings |
2220 |
2020 |
Co-author |
| |
Dr. Ambrish Kumar Srivastava |
Structures and electronic properties of TiFn (n = 1-5) species |
AIP Conference Proceedings |
2220 |
2020 |
First Author |
| |
Dr. Umesh Yadava |
Computational investigations and molecular dynamics simulations envisioned for potent antioxidant and anticancer drugs using indole-chalcone-triazole hybrids |
DNA Repair |
86 |
2020 |
Corresponding Author |
| |
Dr. Umesh Yadava |
Anti-dengue infectivity evaluation of bioflavonoid from Azadirachta indica by dengue virus serine protease inhibition |
Journal of Biomolecular Structure and Dynamics |
39 |
2020 |
Corresponding Author |
| |
Dr. Ambrish Kumar Srivastava |
CxH4x+1+ (x = 1–5): a unique series of organic superalkali cations |
Molecular Physics |
118 |
2020 |
Sole Author |
| |
Dr. Ambrish Kumar Srivastava |
MC6Li6 (M = Li, Na and K): a new series of aromatic superalkalis |
Molecular Physics |
118 |
2020 |
Sole Author |
| |
Dr. Umesh Yadava |
Structure-based screening and validation of bioactive compounds as Zika virus Methyltransferase(MTase) inhibitors through first-principle density functional theory, classical molecular simulation and QM/MM affinity estimation |
Journal of Biomolecular Structure and Dynamics |
39 |
2020 |
Corresponding Author |
| |
Dr. Ambrish Kumar Srivastava |
Enormously high second-order nonlinear optical response of single alkali atom decorated hexalithiobenzene |
Journal of Molecular Liquids |
298 |
2020 |
Sole Author |
| |
Dr. Umesh Yadava |
Density functional theory and molecular dynamics simulation support Ganoderma lucidum triterpenoids as broad range antagonist of matrix metalloproteinases |
Journal of Molecular Liquids |
311 |
2020 |
Corresponding Author |
| |
Dr. Ambrish Kumar Srivastava |
FT-IR, UV–visible, and NMR Spectral Analyses, Molecular Structure, and Properties of Nevadensin Revealed by Density Functional Theory and Molecular Docking |
Polycyclic Aromatic Compounds |
40 |
2020 |
Co-author |
| |
Dr. Umesh Yadava |
Speculative analysis on the electronic structure, IR assignments and molecular docking of N-{4-[(4-amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)sulfonyl]phenyl} acetamide,an anti-amoebic agent |
Heliyon |
e04176 |
2020 |
Corresponding Author |
| |
Dr. Ambrish Kumar Srivastava |
Superalkali behavior of ammonium (NH4+) and hydronium (OH3+) cations: a computational analysis |
SN Applied Sciences |
2 |
2020 |
First Author |
| |
Dr. Umesh Yadava |
Computational and In Vitro Investigation of (-)-Epicatechin and Proanthocyanidin B2 as Inhibitors of Human Matrix Metalloproteinase 1 |
Biomolecules |
10 |
2020 |
Corresponding Author |
| |
Dr. Manindra Kumar |
NaClO4 added, corn and arrowroot starch based economical, high conducting electrolyte membranes for flexible energy devices |
SN Applied Sciences |
2 |
2020 |
Co-author |
| |
Dr. Ambrish Kumar Srivastava |
Ab initio investigations on bimetallic mononuclear superalkali clusters |
Chemical Physics Letters |
759 |
2020 |
Sole Author |
| |
Dr. Umesh Yadava |
SARS-CoV-2 Mpro inhibitors: identification of anti- SARS-CoV-2 Mpro compounds from FDA approved drugs |
Journal of Biomolecular Structure and Dynamics |
40 |
2020 |
Co-author |
| |
Dr. Deepash Shekhar Saini |
A promising proton conducting electrolyte BaZr1xHoxo3 (0.05 0.20) Ceramics for Intermediate temperature Solid oxide fuel cells |
Scientific Reports |
10 |
2020 |
Corresponding Author |
| |
Dr. Umesh Yadava |
DFT calculations on molecular structure, MEP and HOMO-LUMO study of 3-phenyl-1-(methyl-sulfonyl)-1H-pyrazolo[3,4-d]pyrimidine-4-amine |
Materials Today: Proceedings |
49 |
2020 |
Corresponding Author |
