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Computational spectroscopic investigations on structural validation with IR and Raman experimental evidence, projection of ultraviolet-visible excitations, natural bond orbital interpretations, and molecular docking studies under the biological investigation on N-Benzyloxycarbonyl-L-Aspartic acid 1-Benzyl ester

M. Thirunavukkarasu, G. Balaji, S. Muthu, BR. Raajaraman, P. Ramesh

2020Chemical Data Collections67 citationsDOI

Topics & Concepts

Natural bond orbitalChemistryDensity functional theoryComputational chemistryMolecular geometryMolecular orbitalMoleculeMolecular dynamicsBasis setFourier transformRaman spectroscopyMolecular modelMolecular physicsStereochemistryPhysicsQuantum mechanicsOrganic chemistryNonlinear Optical Materials ResearchFree Radicals and AntioxidantsComputational Drug Discovery Methods
Computational spectroscopic investigations on structural validation with IR and Raman experimental evidence, projection of ultraviolet-visible excitations, natural bond orbital interpretations, and molecular docking studies under the biological investigation on N-Benzyloxycarbonyl-L-Aspartic acid 1-Benzyl ester | Litcius