The fermion sign problem in the quantum diffusion Monte Carlo simulation
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Agency: Department of Science and TechnologyRole: Principal InvestigatorGrant: Order No. SR/S2/CMP-0003/2011 dated 05.03.2012
Fast Track Proposal for Young Scientist: Ab initio studies of electronic structure and molecular properties of extraterrestrial and transient molecules
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Agency: Department of Science and TechnologyRole: Principal Investigator
Electronic structure and properties of Nanotoxic material
UniversityRegistered in Sant Gadge Baba Amravati University
Year2020
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Electronic Structure and Molecular Properties of Organic Solar Cells (OSCs) molecules
UniversityRegistered in Sant Gadge Baba Amravati University
Year2020
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Scholarly Publications
Ab-initio MRD-CI Studies of electric field gradient (efg) and dipole moment of CCN radical at CASSCF optimized geometries for X2Π, a4Σ A2Δ, B2Σ- and C2Σ+ electronic states
Authors: I. Ahamad; R. Prasad; Eno E. Ebenso; M.A. Quraishi
Ab-initio MRD-CI Studies of electric field gradient (efg) and dipole moment of CCN radical at CASSCF optimized geometries for X<inf>2</inf>?, a<sup>4</sup>? A<sup>2</sup>?, B<sup>2</sup>?<sup>-</sup> and C<sup>2</sup>?<sup>+</sup> electronic states
Ab-initio MRD-CI Studies of electric field gradient (efg) and dipole moment of CCN radical at CASSCF optimized geometries for X<inf>2</inf>Π, a<sup>4</sup>Σ A<sup>2</sup>Δ, B<sup>2</sup>Σ<sup>-</sup> and C<sup>2</sup>Σ<sup>+</sup> electronic states
Authors: Ahamad, Ishtiaque; Prasad, Rajendra; Quraishi, M. A.
An experimental and theoretical investigation of adsorption characteristics of a Schiff base compound as corrosion inhibitor at mild steel/hydrochloric acid interface