FT-Raman, FT-IR, UV spectroscopic, NBO and DFT quantum chemical study on the molecular structure, vibrational and electronic transitions of clopidogrel hydrogen sulfate form 1: A comparison to form 2

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2012.11.093 ◽

2013 ◽

Vol 104 ◽

pp. 409-418 ◽

Cited By ~ 5

Author(s):

Anubha Srivastava ◽

Rashmi Mishra ◽

Poonam Tandon ◽

A.K. Bansal

Keyword(s):

Molecular Structure ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Electronic Transitions ◽

Hydrogen Sulfate ◽

Ft Ir ◽

Clopidogrel Hydrogen Sulfate ◽

Ft Raman

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FT-IR, FT-Raman and DFT quantum chemical study on the molecular conformation, vibrational and electronic transitions of 1-(m-(trifluoromethyl)phenyl)piperazine

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.10.102 ◽

2014 ◽

Vol 121 ◽

pp. 483-493 ◽

Cited By ~ 23

Author(s):

N. Prabavathi ◽

A. Nilufer ◽

V. Krishnakumar

Keyword(s):

Quantum Chemical ◽

Molecular Conformation ◽

Quantum Chemical Study ◽

Chemical Study ◽

Electronic Transitions ◽

Ft Ir ◽

Ft Raman

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Molecular structure, spectral investigation (1H NMR, 13C NMR, UV–Visible, FT-IR, FT-Raman), NBO, intramolecular hydrogen bonding, chemical reactivity and first hyperpolarizability analysis of formononetin [7-hydroxy-3(4-methoxyphenyl)chromone]: A quantum chemical study

Journal of Molecular Structure ◽

10.1016/j.molstruc.2014.11.070 ◽

2015 ◽

Vol 1084 ◽

pp. 55-73 ◽

Cited By ~ 24

Author(s):

Anubha Srivastava ◽

Rashmi Mishra ◽

Sudhir Kumar ◽

Kapil Dev ◽

Poonam Tandon ◽

...

Keyword(s):

Quantum Chemical ◽

Chemical Reactivity ◽

Quantum Chemical Study ◽

Chemical Study ◽

Intramolecular Hydrogen Bonding ◽

First Hyperpolarizability ◽

Ft Ir ◽

Uv Visible ◽

Intramolecular Hydrogen ◽

Ft Raman

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1-Alkyl-1-methylpiperazine-1,4-diium salts: Synthetic, acid–base, XRD-analytical, FT-IR, FT-Raman spectral and quantum chemical study

Journal of Molecular Structure ◽

10.1016/j.molstruc.2015.03.051 ◽

2015 ◽

Vol 1094 ◽

pp. 210-236 ◽

Cited By ~ 5

Author(s):

Dana Němečková ◽

Y. Sheena Mary ◽

C. Yohannan Panicker ◽

Hema Tresa Varghese ◽

Christian Van Alsenoy ◽

...

Keyword(s):

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Acid Base ◽

Ft Ir ◽

Raman Spectral ◽

Synthetic Acid ◽

Ft Raman

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FT-IR, UV spectroscopic and DFT quantum chemical study on the molecular conformation, vibrational and electronic transitions of 2-aminoterephthalic acid

Journal of Molecular Structure ◽

10.1016/j.molstruc.2010.07.033 ◽

2010 ◽

Vol 982 (1-3) ◽

pp. 22-27 ◽

Cited By ~ 71

Author(s):

Mehmet Karabacak ◽

Mehmet Cinar ◽

Zeliha Unal ◽

Mustafa Kurt

Keyword(s):

Quantum Chemical ◽

Molecular Conformation ◽

Quantum Chemical Study ◽

Chemical Study ◽

Electronic Transitions ◽

Ft Ir

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A QUANTUM CHEMICAL STUDY OF THE MOLECULAR STRUCTURE OF ZINC(II) AND BORON(III) COMPLEXES WITH MONOIODO AND DIBROMO SUBSTITUTED DIPYRRINES

Журнал структурной химии ◽

10.15372/jsc20160104 ◽

2016 ◽

Vol 57 (1) ◽

Keyword(s):

Molecular Structure ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study

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Molecular structure, NBO analysis of the hydrogen-bonded interactions, Spectroscopic (FT–IR, FT–Raman), drug likeness and molecular docking of the novel anti COVID-2 molecule (2E)-N-methyl-2-[(4-oxo-4H-chromen-3-yl)methylidene]-hydrazinecarbothioamide (Dimer) - Quantum chemical approach

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2020.119388 ◽

2020 ◽

pp. 119388

Author(s):

S.J. Jenepha Mary ◽

Sayantan Pradhan ◽

C. James

Keyword(s):

Molecular Structure ◽

Molecular Docking ◽

Quantum Chemical ◽

Nbo Analysis ◽

The Novel ◽

Chemical Approach ◽

Ft Ir ◽

Quantum Chemical Approach ◽

Ft Raman ◽

Hydrogen Bonded

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Molecular structure analysis and spectroscopic characterization of carbimazole with experimental (FT-IR, FT-Raman and UV–Vis) techniques and quantum chemical calculations

Journal of Molecular Structure ◽

10.1016/j.molstruc.2013.07.055 ◽

2013 ◽

Vol 1052 ◽

pp. 38-49 ◽

Cited By ~ 2

Author(s):

T. Gnanasambandan ◽

S. Gunasekaran ◽

S. Seshadri

Keyword(s):

Molecular Structure ◽

Quantum Chemical Calculations ◽

Structure Analysis ◽

Quantum Chemical ◽

Spectroscopic Characterization ◽

Ft Ir ◽

Molecular Structure Analysis ◽

Ft Raman

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The molecular structure of barium dibromide: an electron diffraction and quantum chemical study

Journal of Molecular Structure ◽

10.1016/s0022-2860(01)00557-9 ◽

2001 ◽

Vol 567-568 ◽

pp. 241-246 ◽

Cited By ~ 5

Author(s):

Magdolna Hargittai ◽

Mária Kolonits ◽

György Schultz

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study

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Molecular structure, spectral (FT-IR, FT-Raman, Uv-Vis, and fluorescent) properties and quantum chemical analyses of azomethine derivative of 4-aminoantipyrine

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.129512 ◽

2021 ◽

Vol 1227 ◽

pp. 129512

Author(s):

Mohammad Sayed Alam ◽

Dong-Ung Lee

Keyword(s):

Molecular Structure ◽

Quantum Chemical ◽

Chemical Analyses ◽

Fluorescent Properties ◽

Azomethine Derivative ◽

Ft Ir ◽

Ft Raman

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Quantum chemical insight into molecular structure, NBO analysis of the hydrogen-bonded interactions, spectroscopic (FT–IR, FT–Raman), drug likeness and molecular docking of the novel anti COVID-19 molecule 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide - dimer

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2020.118825 ◽

2021 ◽

Vol 244 ◽

pp. 118825

Author(s):

S.J. Jenepha Mary ◽

Mohd Usman Mohd Siddique ◽

Sayantan Pradhan ◽

Venkatesan Jayaprakash ◽

C. James

Keyword(s):

Molecular Structure ◽

Molecular Docking ◽

Quantum Chemical ◽

Nbo Analysis ◽

The Novel ◽

Ft Ir ◽

Insight Into ◽

Ft Raman ◽

Hydrogen Bonded

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