Prakash C Jha
Prakash C Jha
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Synthesis, biological evaluation and molecular docking study of some novel indole and pyridine based 1, 3, 4-oxadiazole derivatives as potential antitubercular agents
NC Desai, H Somani, A Trivedi, K Bhatt, L Nawale, VM Khedkar, PC Jha, ...
Bioorganic & medicinal chemistry letters 26 (7), 1776-1783, 2016
Two-dimensional boron: lightest catalyst for hydrogen and oxygen evolution reaction
SH Mir, S Chakraborty, PC Jha, J Wärnå, H Soni, PK Jha, R Ahuja
Applied Physics Letters 109 (5), 053903, 2016
Density functional study of triazole and thiadiazole systems as electron transporting materials
E Jansson, PC Jha, H Ågren
Chemical physics 330 (1-2), 166-171, 2006
A comparative study of hydrogen evolution reaction on pseudo-monolayer WS 2 and PtS 2: insights based on the density functional theory
SH Mir, S Chakraborty, J Wärnå, S Narayan, PC Jha, PK Jha, R Ahuja
Catalysis Science & Technology 7 (3), 687-692, 2017
Many-photon dynamics of photobleaching
S Gavrilyuk, S Polyutov, PC Jha, Z Rinkevicius, H Ågren, F Gel'mukhanov
The Journal of Physical Chemistry A 111 (47), 11961-11975, 2007
Biophysical characterization and molecular docking studies of imidazolium based polyelectrolytes–DNA complexes: Role of hydrophobicity
K Manojkumar, KT Prabhu Charan, A Sivaramakrishna, PC Jha, ...
Biomacromolecules 16 (3), 894-903, 2015
Bridged bis-BODIPYs: their synthesis, structures and properties
PE Kesavan, S Das, MY Lone, PC Jha, S Mori, I Gupta
Dalton Transactions 44 (39), 17209-17221, 2015
Chain length dependence of singlet and triplet excited states of oligofluorenes: A density functional study
E Jansson, PC Jha, H Ågren
Chemical physics 336 (2-3), 91-98, 2007
Synthesis, Structure, and Optical Studies of Donor–Acceptor‐Type Near‐Infrared (NIR) Aza–Boron‐Dipyrromethene (BODIPY) Dyes
N Balsukuri, MY Lone, PC Jha, S Mori, I Gupta
Chemistry–An Asian Journal 11 (10), 1572-1587, 2016
Pharmacophore model prediction, 3D-QSAR and molecular docking studies on vinyl sulfones targeting Nrf2-mediated gene transcription intended for anti-Parkinson drug design
M Athar, MY Lone, VM Khedkar, PC Jha
Journal of Biomolecular Structure and Dynamics 34 (6), 1282-1297, 2016
Searching of potential energy curves for the benzene dimer using dispersion-corrected density functional theory
PC Jha, Z Rinkevicius, H Ågren, P Seal, S Chakrabarti
Physical Chemistry Chemical Physics 10 (19), 2715-2721, 2008
Two‐Photon Absorption Cross‐Sections of Reference Dyes: A Critical Examination
P Chandra Jha, Y Wang, H Ågren
ChemPhysChem 9 (1), 111-116, 2008
Solvatochromic shift of phenol blue in water from a combined Car–Parrinello molecular dynamics hybrid quantum mechanics-molecular mechanics and ZINDO approach
NA Murugan, PC Jha, Z Rinkevicius, K Ruud, H Ågren
The Journal of chemical physics 132 (23), 234508, 2010
Spin multiplicity dependence of nonlinear optical properties
PC Jha, Z Rinkevicius, H Ågren
ChemPhysChem 10 (5), 817-823, 2009
Electrochemical and theoretical investigation of the inhibitory effect of two Schiff bases of benzaldehyde for the corrosion of aluminium in hydrochloric acid
UJ Naik, PC Jha, MY Lone, RR Shah, NK Shah
Journal of Molecular Structure 1125, 63-72, 2016
Two-photon absorption cross sections of trans-stilbene, and 7, 8-disubstituted stilbenes in different molecular conformations: A model exact study
PC Jha, M Das, S Ramasesha
The Journal of Physical Chemistry A 108 (30), 6279-6285, 2004
Donor–acceptor type A 2 B 2 porphyrins: synthesis, energy transfer, computational and electrochemical studies
S Das, HR Bhat, N Balsukuri, PC Jha, Y Hisamune, M Ishida, H Furuta, ...
Inorganic Chemistry Frontiers 4 (4), 618-638, 2017
Identification of Mycobacterium tuberculosis enoyl-acyl carrier protein reductase inhibitors: A combined in-silico and in-vitro analysis
MY Lone, M Athar, VK Gupta, PC Jha
Journal of Molecular Graphics and Modelling 76, 172-180, 2017
Static and dynamic polarizabilities of (CdSe) n (n= 1–16) clusters
PC Jha, P Seal, S Sen, H Ågren, S Chakrabarti
Computational materials science 44 (2), 728-732, 2008
Pharmacophore modeling, molecular docking and molecular dynamics simulation for screening and identifying anti-dengue phytocompounds
J Vora, S Patel, M Athar, S Sinha, MT Chhabria, PC Jha, N Shrivastava
Journal of Biomolecular Structure and Dynamics, 2019
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