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Dr. Dipendra Sharma
Dr. Dipendra Sharma
Assistant Professor, Dept. of Physics, DDU Gorakhpur University, Gorakhpur, (U.P.) India
Verified email at ddugu.ac.in
Title
Cited by
Cited by
Year
Comparative computational analysis of electronic structure, MEP surface and vibrational assignments of a nematic liquid crystal: 4-n-methyl-4´-cyanobiphenyl
D Sharma, SN Tiwari
Journal of Molecular Liquids 214, 128-135, 2016
452016
Evolution of Anisotropy, First Order Hyperpolarizability and Electronic Parameters in p-Alkyl-p’-Cynobiphenyl Series of Liquid Crystals: Odd-Even Effect Revisited
A Kumar, AK Srivastava, SN Tiwari, N Misra, D Sharma
Molecular Crystals and Liquid Crystals 681 (1), 23-31, 2019
352019
Electronic and electro-optical properties of 5CB and 5CT liquid crystal molecules: A comparative DFT study
D Sharma, G Tiwari, SN Tiwari
Pramana 95 (2), 71, 2021
182021
In-silico investigation of optical, thermal and electronic properties for 4-n-alkoxy benzoic acid series (nOBA; n= 1–8)
D Sharma, AK Srivastava, SN Tiwari
Journal of Molecular Liquids 294, 111672, 2019
182019
Electronic structure, FT-IR analysis and nematic behaviour studies of para-methoxybenzylidine p-ethylaniline: Ab-initio and DFT approach
SN Tiwari, D Sharma
Journal of Molecular Liquids 244, 241-251, 2017
182017
Molecular structure and interaction energy studies of 4, 4′-methoxy bis-hydrazone
SN Tiwari, D Sharma
Journal of Molecular Liquids 207, 99-106, 2015
172015
Electronic structure and vibrational spectra of 1OCB liquid crystal: a DFT study
D Sharma, SN Tiwari
Emerging Materials Research 6 (2), 322-330, 2017
142017
In Silico Investigation of Electronic Structure, Binding Patterns and Molecular Docking of Nevirapine: An anti-HIV Type-1 Drug
G Tiwari, A Kumar, KK Dwivedi, D Sharma
Polycyclic Aromatic Compounds 42 (5), 2789-2804, 2022
132022
Systematic in silico studies of corticosteroids and its binding affinities with glucocorticoid receptor for Covid-19 treatment: Ab-initio, molecular docking and MD simulation …
G Tiwari, MS Chauhan, D Sharma
Polycyclic Aromatic Compounds 43 (5), 4654-4669, 2022
102022
Estimation of Binding Sites of Efavirenz with 3EO9 Receptor: In Silico Molecular Docking and Molecular Dynamics Studies
G Tiwari, MS Chauhan, D Sharma
Polycyclic Aromatic Compounds 42 (10), 7256-7266, 2022
72022
Electronic structure, spectra analysis and nano-range interactions of mitoxantrone with RNA base pairs: an anticancer drug
G Tiwari, D Sharma
Materials Today: Proceedings 29, 844-849, 2020
72020
Thermodynamical Properties and Infrared Spectra of 4-n-propoxy-4´- cyanobiphenyl: Hartree-Fock and Density Functional Theory Methods
D Sharma, G Tiwari, SN Tiwari
International Journal of Electroactive Materials 5 (2), 19-30, 2017
72017
DFT study of electro-optical, electronic and thermal properties of 4-n-alkoxy-4′-cynobiphenyl liquid crystal series
D Sharma, TK Sahu, SN Tiwari
Phase Transitions 94 (6-8), 404-414, 2021
62021
Electronic Structure and Molecular Docking Studies of an anti-HIV Drug: Stavudine
G Tiwari, D Sharma, NB Singh
Journal of Scientific & Industrial Research 79 (4), 337-339, 2020
52020
BO2 substituted novel alkyl biphenyl liquid crystalline series: dependence of geometrical and electronic properties on the alkyl chain length
A Kumar, AK Srivastava, D Sharma, SN Tiwari, N Misra
Theoretical Chemistry Accounts 142 (2), 17, 2023
42023
Fluorination of 2, 5-diphenyl-1, 3, 4-oxadiazole enhances the electron transport properties for OLED devices: a DFT analysis
A Tiwari, MS Chauhan, D Sharma
Phase Transitions 95 (12), 888-900, 2022
42022
Physico-chemical properties, frontier orbitals and spectral study of a nematogen: 4-n-ethoxy-4'-cyanobiphenyl and its two constituents
SN Tiwari, MK Dwivedi, D Sharma
Materials Today: Proceedings 29, 987-992, 2020
42020
Frontier Orbital and Conformational Analysis of a Nematic Liquid Crystal: 4-n-heptyloxy-4-cyanobiphenyl
G Tiwari, D Sharma, SN Tiwari, NB Singh
Journal of Scientific & Industrial Research, 2019
42019
Electronic Structure and Thermodynamic Properties of 4-n-heptyl-4́-cyanobiphenyl: A Computational Study
D Sharma, G Tiwari, SN Tiwari
Materials Today: Proceedings 15, 409-415, 2019
42019
Molecular Structure, Frontier Orbital Analysis and Vibrational Assignments of a Nematic Liquid Crystal: 4-n-ethyl-4´-cyanobiphenyl
SN Tiwari, D Sharma, MK Dwivedi
International Journal of Electroactive Materials 5 (3), 31-41, 2017
42017
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Articles 1–20