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Synthesis, spectroscopic (FT-IR, FT-Raman, NMR, UV–Visible), NLO, NBO, HOMO-LUMO, Fukui function and molecular docking study of (E)-1-(5-bromo-2-hydroxybenzylidene)semicarbazide

Journal of molecular structure, 2017-08, Vol.1141, p.284-298

2017

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Investigation of steric effect in the formation of hydrogen-bonded complexes of isomeric chlorophenols with N,N-dimethylaniline

Journal of molecular liquids, 2017-10, Vol.244, p.405-414

2017

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Molecular structure interpretation, spectroscopic (FT-IR, FT-Raman), electronic solvation (UV–Vis, HOMO-LUMO and NLO) properties and biological evaluation of (2E)-3-(biphenyl-4-yl)-1-(4-bromophenyl)prop-2-en-1-one: Experimental and computational modeling approach

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2020-02, Vol.226, p.117609, Article 117609

2020

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DFT investigation of role of N – H⋯O and N – H⋯π interactions in the stabilization of the hydrogen bonded complexes of anisole with aromatic amines

Heliyon, 2019-07, Vol.5 (7), p.e02155, Article e02155

2019

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Molecular structure, vibrational spectra, NBO, Fukui function, HOMO-LUMO analysis and molecular docking study of 6-[(2-methylphenyl)sulfanyl]-5-propylpyrimidine-2,4(1H,3H)-dione

Macedonian Journal of Chemistry and Chemical Engineering, 2017-01, Vol.36 (1), p.59-80

2017

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Synthesis, spectroscopic elucidation (FT-IR, FT-Raman, UV–Vis), electronic properties and biological activities (antimicrobial, docking) of semicarbazide derivative

Materials today : proceedings, 2022, Vol.50, p.2847-2852

2022

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Synthesis, spectroscopic (FT-IR, FT-Raman, NMR, UV–Visible), Fukui function, antimicrobial and molecular docking study of (E)-1-(3-bromobenzylidene)semicarbazide by DFT method

Journal of molecular structure, 2017-02, Vol.1130, p.374-384

2017

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Synthesis, spectroscopic characterization, electronic elucidation, chemical reactivity, topological and molecular docking investigations of cefadroxil sulfoxide

Journal of molecular liquids, 2024-10, Vol.412, p.125870, Article 125870

2024

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Molecular interactions in ternary system of K-contin and (2-Aminoacetamido)acetic acid at various temperatures–ultrasonic and viscometric analysis

SN applied sciences, 2023-12, Vol.5 (12), p.383-7, Article 383

2023

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Ultrasonic and spectral studies on charge transfer complexes of anisole and certain aromatic amines

Chemical physics, 2016-10, Vol.478, p.34-44

2016

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Determination of thermodynamic properties for protonation equilibrium between isomeric cresols and N,N-dimethylaniline in n-hexane medium

Journal of molecular liquids, 2015-07, Vol.207, p.28-38

2015

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Synthesis, spectroscopic (FT-IR, FT-Raman, NMR, UV–Visible), first order hyperpolarizability, NBO and molecular docking study of (E)-1-(4-bromobenzylidene)semicarbazide

Journal of molecular structure, 2017-01, Vol.1128, p.481-492

2017

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Quantum chemical and third order nonlinear optical investigation of (E)-1-(1H-imidazol-1-yl)-3-(1H-indol-2-yl)prop-2-en-1-one

Indian Journal of Chemistry, 2023-08, Vol.62 (8)

2023

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Quantum chemical designing of 2-(3,4-dihydroxyphenyl)-3,5,7- trihydroxychromenium as a efficient sensitizer for dye sensitized solar cell

Journal of Optoelectronic and Biomedical Materials, 2021-07, Vol.13 (3), p.107-117

2021

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Spectroscopic (FT-IR, FT-Raman), first order hyperpolarizabilities, NBO, Fukui function and molecular docking study of N-(4-Chloro-3-methylphenyl)-2-phenylacetamide

Optik (Stuttgart), 2017-07, Vol.140, p.1127-1142

2017

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Theoretical exploration of novel alkannin derived D-π-A conjugated organic dyes as efficient sensitizer in dye-sensitized solar cells

Journal of Optoelectronic and Biomedical Materials, 2024-09, Vol.16 (3), p.125-139

2024

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Theoretical spectroscopic investigation of 3,5-bis(trifluoromethyl) phenyl isothiocyanate

JOURNAL OF ADVANCED APPLIED SCIENTIFIC RESEARCH, 2015-11, Vol.1 (2), p.121-129

2015

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Molecular Structure, first Order Hyperpolarizability, NBO and HOMO-LUMO Analysis of Cinnoline-4-Carboxylic Acid

International journal of advanced scientific technologies, engineering and management sciences, 2017-01, Vol.3 (1), p.10

2017

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Hepatoprotective effect of Lobelia alsinoides Lam. in Wistar rats

Journal of ayurveda and integrative medicine, 2020-10, Vol.11 (4), p.515-521

2020

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Mitral Bioprosthetic Valve Endocarditis Caused by an Unusual Microorganism, Gemella morbillorum, in an Intravenous Drug User

Journal of Clinical Microbiology, 2004-10, Vol.42 (10), p.4893-4896

2004

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Synthesis, spectroscopic (FT-IR, FT-Raman, NMR, UV–Visible), NLO, NBO, HOMO-LUMO, Fukui function and molecular docking study of (E)-1-(5-bromo-2-hydroxybenzylidene)semicarbazide

Investigation of steric effect in the formation of hydrogen-bonded complexes of isomeric chlorophenols with N,N-dimethylaniline

Molecular structure interpretation, spectroscopic (FT-IR, FT-Raman), electronic solvation (UV–Vis, HOMO-LUMO and NLO) properties and biological evaluation of (2E)-3-(biphenyl-4-yl)-1-(4-bromophenyl)prop-2-en-1-one: Experimental and computational modeling approach

DFT investigation of role of N – H⋯O and N – H⋯π interactions in the stabilization of the hydrogen bonded complexes of anisole with aromatic amines

Molecular structure, vibrational spectra, NBO, Fukui function, HOMO-LUMO analysis and molecular docking study of 6-[(2-methylphenyl)sulfanyl]-5-propylpyrimidine-2,4(1H,3H)-dione

Synthesis, spectroscopic elucidation (FT-IR, FT-Raman, UV–Vis), electronic properties and biological activities (antimicrobial, docking) of semicarbazide derivative

Synthesis, spectroscopic (FT-IR, FT-Raman, NMR, UV–Visible), Fukui function, antimicrobial and molecular docking study of (E)-1-(3-bromobenzylidene)semicarbazide by DFT method

Synthesis, spectroscopic characterization, electronic elucidation, chemical reactivity, topological and molecular docking investigations of cefadroxil sulfoxide

Molecular interactions in ternary system of K-contin and (2-Aminoacetamido)acetic acid at various temperatures–ultrasonic and viscometric analysis

Ultrasonic and spectral studies on charge transfer complexes of anisole and certain aromatic amines

Determination of thermodynamic properties for protonation equilibrium between isomeric cresols and N,N-dimethylaniline in n-hexane medium

Synthesis, spectroscopic (FT-IR, FT-Raman, NMR, UV–Visible), first order hyperpolarizability, NBO and molecular docking study of (E)-1-(4-bromobenzylidene)semicarbazide

Quantum chemical and third order nonlinear optical investigation of (E)-1-(1H-imidazol-1-yl)-3-(1H-indol-2-yl)prop-2-en-1-one

Quantum chemical designing of 2-(3,4-dihydroxyphenyl)-3,5,7- trihydroxychromenium as a efficient sensitizer for dye sensitized solar cell

Spectroscopic (FT-IR, FT-Raman), first order hyperpolarizabilities, NBO, Fukui function and molecular docking study of N-(4-Chloro-3-methylphenyl)-2-phenylacetamide

Theoretical exploration of novel alkannin derived D-π-A conjugated organic dyes as efficient sensitizer in dye-sensitized solar cells

Theoretical spectroscopic investigation of 3,5-bis(trifluoromethyl) phenyl isothiocyanate

Molecular Structure, first Order Hyperpolarizability, NBO and HOMO-LUMO Analysis of Cinnoline-4-Carboxylic Acid

Hepatoprotective effect of Lobelia alsinoides Lam. in Wistar rats

Mitral Bioprosthetic Valve Endocarditis Caused by an Unusual Microorganism, Gemella morbillorum, in an Intravenous Drug User

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