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Quantum mechanical, spectroscopic vibrational analysis, NBO, HOMO-LUMO, and molecular docking studies on 2-Chloroquinoline-3-Carboxamide
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Amelioration of Experimental Autoimmune Encephalomyelitis by the Quinoline-3-Carboxamide Paquinimod
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Spectroscopic (FT-IR, FT-Raman), first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of N-[(4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide by density functional methods
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Synthesis and characterization of some new quinoline based derivatives endowed with broad spectrum antimicrobial potency
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Synthesis and biological evaluation of new 2-chloro-3-((4-phenyl-1H-1,2,3-triazol-1-yl)methyl)quinoline derivatives via click chemistry approach
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Therapeutic effect of a novel anilidoquinoline derivative, 2-(2-methyl-quinoline-4ylamino)-N-(2-chlorophenyl)-acetamide, in Japanese encephalitis: correlation with in vitro neuroprotection
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Quinoline: A versatile heterocyclic
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Computational studies of 1,2-disubstituted benzimidazole derivatives
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Vibrational Energy Distribution Analysis (VEDA): Scopes and limitations
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Molecular structure, normal coordinate analysis, harmonic vibrational frequencies, NBO, HOMO–LUMO analysis and detonation properties of (S)-2-(2-oxopyrrolidin-1-yl) butanamide by density functional methods
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FTIR and Raman spectra, electronic spectra and normal coordinate analysis of N,N-dimethyl-3-phenyl-3-pyridin-2-yl-propan-1-amine by DFT method
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Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, 13C, 1H) study, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 2-acetoxybenzoic acid by density functional methods
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Quantum mechanical, spectroscopic and docking studies of 2-Amino-3-bromo-5-nitropyridine by Density Functional Method
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A microwave promoted solvent-free approach to steroidal quinolines and their in vitro evaluation for antimicrobial activities
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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
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Alumina-supported synthesis of antibacterial quinolines using microwaves
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Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
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Conceptual Density Functional Theory
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Absolute electronegativity and hardness: application to inorganic chemistry
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Variational Principles for Describing Chemical Reactions: The Fukui Function and Chemical Hardness Revisited
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