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[1]
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Study of the molecular structure, electronic and chemical properties of Rubescin D molecule
Chinese Journal of Physics,
2020
DOI:10.1016/j.cjph.2019.10.016
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[2]
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Influence of orthogonal di- and trimerization leading to meso fused BODIPY on linear and NLO properties - TDDFT study and singlet-triplet energy distribution
Journal of Photochemistry and Photobiology A: Chemistry,
2020
DOI:10.1016/j.jphotochem.2019.112284
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[3]
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Drug repurposing: Fusidic acid as a potential inhibitor of M. tuberculosis FtsZ polymerization – Insight from DFT calculations, molecular docking and molecular dynamics simulations
Tuberculosis,
2020
DOI:10.1016/j.tube.2020.101920
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[4]
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Density Functional Theory Calculations [Working Title]
2020
DOI:10.5772/intechopen.93828
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[5]
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Influence of acceptors in NLOphoric aacenaphthene and morpholine-thiourea hybrid dyes: Photophysical, viscosity, DFT and Z-Scan study
Optical Materials,
2019
DOI:10.1016/j.optmat.2019.01.037
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[6]
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NLO
phoric Triphenylamine Derived Donor‐
π
‐Acceptor‐
π
‐Donor Based Colorants: Synthesis, Spectroscopic, Density Functional Theory and Z‐scan Studies
Photochemistry and Photobiology,
2019
DOI:10.1111/php.13089
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[7]
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Spectroscopic and DFT approach for structure property relationship of red emitting rhodamine analogues: A study of linear and nonlinear optical properties
Computational and Theoretical Chemistry,
2018
DOI:10.1016/j.comptc.2018.03.029
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[8]
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Influence of electron donors in fluorescent NLOphoric D-π-A derivatives with acenaphthene rotor: Photophysical, viscosity, and TD-DFT studies
Journal of Photochemistry and Photobiology A: Chemistry,
2018
DOI:10.1016/j.jphotochem.2018.05.039
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[9]
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Electronic structure and spectral properties of indole based fluorescent styryl dyes: Comprehensive study on linear and non-linear optical properties by DFT/TDDFT method
Computational and Theoretical Chemistry,
2018
DOI:10.1016/j.comptc.2018.07.015
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