Spectroscopic analysis (FT-IR/FT-Raman) and molecular structure investigation on m-fluoronitrobenzene using hybrid computational calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2012.03.042 ◽

2012 ◽

Vol 94 ◽

pp. 318-330 ◽

Cited By ~ 3

Author(s):

S. Ramalingam ◽

M. Karabacak ◽

S. Periandy ◽

N. Puviarasan

Keyword(s):

Molecular Structure ◽

Spectroscopic Analysis ◽

Structure Investigation ◽

Computational Calculations ◽

Ft Ir ◽

Molecular Structure Investigation ◽

Ft Raman

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Erratum to “FT-IR, FT-Raman, NMR spectra, and molecular structure investigation of 2,3-dibromo-N-methylmaleimide: A combined experimental and theoretical study” [Journal of Molecular Structure 892 (2008) 125–131]

Journal of Molecular Structure ◽

10.1016/j.molstruc.2009.01.015 ◽

2009 ◽

Vol 921 (1-3) ◽

pp. 352

Author(s):

Mehmet Karabacak ◽

Ali Çoruh ◽

Mustafa Kurt

Keyword(s):

Molecular Structure ◽

Nmr Spectra ◽

Theoretical Study ◽

Structure Investigation ◽

Ft Ir ◽

Molecular Structure Investigation ◽

Ft Raman

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FT-IR, FT-Raman vibrational spectra and molecular structure investigation of 2-chloro-4-methylaniline: A combined experimental and theoretical study

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2008.12.047 ◽

2009 ◽

Vol 72 (5) ◽

pp. 1076-1083 ◽

Cited By ~ 36

Author(s):

Mehmet Karabacak ◽

Dilek Karagöz ◽

Mustafa Kurt

Keyword(s):

Molecular Structure ◽

Vibrational Spectra ◽

Theoretical Study ◽

Structure Investigation ◽

Ft Ir ◽

Molecular Structure Investigation ◽

Ft Raman

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FT-IR, FT-Raman, UV, NMR spectra and molecular structure investigation of (E)-2-(3-chloropyrazin-2-yl)-1-(3-ethyl-2, 6-diphenyl piperidin-4-ylidene) hydrazine: A combined experimental and theoretical study

Journal of Molecular Structure ◽

10.1016/j.molstruc.2015.07.024 ◽

2015 ◽

Vol 1100 ◽

pp. 137-144 ◽

Cited By ~ 4

Author(s):

A. Therasa Alphonsa ◽

C. Loganathan ◽

S. Athavan Alias Anand ◽

S. Kabilan

Keyword(s):

Molecular Structure ◽

Nmr Spectra ◽

Theoretical Study ◽

Structure Investigation ◽

Ft Ir ◽

Molecular Structure Investigation ◽

Ft Raman

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FT-IR, FT-Raman, NMR spectra, and molecular structure investigation of 2,3-dibromo-N-methylmaleimide: A combined experimental and theoretical study

Journal of Molecular Structure ◽

10.1016/j.molstruc.2008.05.014 ◽

2008 ◽

Vol 892 (1-3) ◽

pp. 125-131 ◽

Cited By ~ 47

Author(s):

Mehmet Karabacak ◽

Ali Çoruh ◽

Mustafa Kurt

Keyword(s):

Molecular Structure ◽

Nmr Spectra ◽

Theoretical Study ◽

Structure Investigation ◽

Ft Ir ◽

Molecular Structure Investigation ◽

Ft Raman

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FT-IR and FT-Raman vibrational spectra and molecular structure investigation of nicotinamide: A combined experimental and theoretical study

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2010.02.015 ◽

2010 ◽

Vol 75 (5) ◽

pp. 1552-1558 ◽

Cited By ~ 37

Author(s):

S. Ramalingam ◽

S. Periandy ◽

M. Govindarajan ◽

S. Mohan

Keyword(s):

Molecular Structure ◽

Vibrational Spectra ◽

Theoretical Study ◽

Structure Investigation ◽

Ft Ir ◽

Molecular Structure Investigation ◽

Ft Raman

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Experimental (FT-IR, FT-Raman, UV and NMR) and quantum chemical studies on molecular structure, spectroscopic analysis, NLO, NBO and reactivity descriptors of 3,5-Difluoroaniline

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.06.149 ◽

2015 ◽

Vol 135 ◽

pp. 283-295 ◽

Cited By ~ 35

Author(s):

S.K. Pathak ◽

R. Srivastava ◽

A.K. Sachan ◽

O. Prasad ◽

L. Sinha ◽

...

Keyword(s):

Molecular Structure ◽

Quantum Chemical ◽

Spectroscopic Analysis ◽

Reactivity Descriptors ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Ft Ir ◽

Ft Raman

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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 Investigation of Chlorotrifluoroethylene by Electron Diffraction

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.34.1472 ◽

1961 ◽

Vol 34 (10) ◽

pp. 1472-1474 ◽

Cited By ~ 1

Author(s):

Takeshi Kawai ◽

Hiroshi Sekine ◽

Masato Igarashi

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Structure Investigation ◽

Molecular Structure Investigation

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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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Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman),UV-Vis spectra, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis, thermodynamic properties of 2,6-dichloropyrazine by ab inito HF and density functional method

The Journal of Atomic and Molecular Sciences ◽

10.4208/jams.012712.031412a ◽

2013 ◽

Vol 4 (1) ◽

pp. 1-17 ◽

Cited By ~ 1

Author(s):

K. Chaitanya

Keyword(s):

Molecular Structure ◽

Density Functional ◽

Density Functional Method ◽

Nbo Analysis ◽

Functional Method ◽

First Order ◽

Homo And Lumo ◽

Ft Ir ◽

Ab Inito ◽

Ft Raman

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