Experimental isolation and spectroscopic characterization of squamocin acetogenin combining FT-IR, FT-Raman and UV–Vis spectra with DFT calculations

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.128610 ◽

2020 ◽

Vol 1219 ◽

pp. 128610

Author(s):

José Ruiz Hidalgo ◽

Adriana Neske ◽

Maximiliano A. Iramain ◽

Patricia E. Alvarez ◽

Patricio Leyton Bongiorno ◽

...

Keyword(s):

Dft Calculations ◽

Spectroscopic Characterization ◽

Ft Ir ◽

Ft Raman

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Molecular structure, NLO, MEP, NBO analysis and spectroscopic characterization of 2,5-dimethylanilinium dihydrogen phosphate with experimental (FT-IR and FT-Raman) techniques and DFT calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.06.021 ◽

2014 ◽

Vol 133 ◽

pp. 856-866 ◽

Cited By ~ 14

Author(s):

Sameh Guidara ◽

Habib Feki ◽

Younes Abid

Keyword(s):

Molecular Structure ◽

Dft Calculations ◽

Spectroscopic Characterization ◽

Nbo Analysis ◽

Dihydrogen Phosphate ◽

Ft Ir ◽

Ft Raman

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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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Monomeric and dimeric structures analysis and spectroscopic characterization of 3,5-difluorophenylboronic acid with experimental (FT-IR, FT-Raman, 1H and 13C NMR, UV) techniques and quantum chemical calculations

Journal of Molecular Structure ◽

10.1016/j.molstruc.2013.10.064 ◽

2014 ◽

Vol 1058 ◽

pp. 79-96 ◽

Cited By ~ 36

Author(s):

Mehmet Karabacak ◽

Etem Kose ◽

Ahmet Atac ◽

Abdullah M. Asiri ◽

Mustafa Kurt

Keyword(s):

Quantum Chemical Calculations ◽

13C Nmr ◽

Quantum Chemical ◽

Spectroscopic Characterization ◽

1H And 13C Nmr ◽

Ft Ir ◽

Ft Raman

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Molecular structure analysis and spectroscopic characterization of 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.01.048 ◽

2013 ◽

Vol 106 ◽

pp. 310-320 ◽

Cited By ~ 10

Author(s):

E. Isac Paulraj ◽

S. Muthu

Keyword(s):

Molecular Structure ◽

Quantum Chemical Calculations ◽

Structure Analysis ◽

Quantum Chemical ◽

Spectroscopic Characterization ◽

Ft Ir ◽

Molecular Structure Analysis ◽

Ft Raman

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Spectroscopic characterization of enzymatic flax retting: Factor analysis of FT-IR and FT-Raman data

10.1063/1.55746 ◽

1998 ◽

Author(s):

D. D. Archibald ◽

G. Henrikssen ◽

D. E. Akin ◽

F. E. Barton

Keyword(s):

Factor Analysis ◽

Spectroscopic Characterization ◽

Ft Ir ◽

Ft Raman

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Characterization of zinc complex with 4-{[(1E)-(2 Hydroxyphenyl) methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one by FT-IR and FT-Raman spectroscopies and DFT calculations

Journal of Molecular Structure ◽

10.1016/j.molstruc.2019.127295 ◽

2020 ◽

Vol 1202 ◽

pp. 127295 ◽

Cited By ~ 1

Author(s):

J.A. Antunes ◽

T.A. de Toledo ◽

L.E. da Silva ◽

P.T.C. Freire ◽

A.M.R. Teixeira ◽

...

Keyword(s):

Dft Calculations ◽

Zinc Complex ◽

Ft Ir ◽

Ft Raman

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Characterization of flavonoid 3-Methoxyquercetin performed by FT-IR and FT-Raman spectroscopies and DFT calculations

Journal of Molecular Structure ◽

10.1016/j.molstruc.2012.06.058 ◽

2012 ◽

Vol 1029 ◽

pp. 22-27 ◽

Cited By ~ 15

Author(s):

T.A. de Toledo ◽

L.E. da Silva ◽

T.C. Botelho ◽

R.J. Ramos ◽

P.T. de Souza Jr. ◽

...

Keyword(s):

Dft Calculations ◽

Ft Ir ◽

Ft Raman

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Comment on “Molecular Structure analysis and Spectroscopic Characterization of Carbimazole with experimental (FT-IR, FT-Raman and UV–Vis) techniques and quantum chemical calculations” [J. Mol. Struct. 1052 (2013) 38–49]

Journal of Molecular Structure ◽

10.1016/j.molstruc.2013.10.035 ◽

2014 ◽

Vol 1056-1057 ◽

pp. 216-218

Author(s):

Mauricio F. Erben

Keyword(s):

Molecular Structure ◽

Quantum Chemical Calculations ◽

Structure Analysis ◽

Quantum Chemical ◽

Spectroscopic Characterization ◽

Ft Ir ◽

Molecular Structure Analysis ◽

Ft Raman

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FT-IR, FT-Raman and NMR characterization of 2-isopropyl-5-methylcyclohexyl quinoline-2-carboxylate and investigation of its reactive and optoelectronic properties by molecular dynamics simulations and DFT calculations

Journal of Molecular Structure ◽

10.1016/j.molstruc.2016.07.096 ◽

2017 ◽

Vol 1127 ◽

pp. 124-137 ◽

Cited By ~ 32

Author(s):

Vidya V. Menon ◽

Edakot Fazal ◽

Y.Sheena Mary ◽

C.Yohannan Panicker ◽

Stevan Armaković ◽

...

Keyword(s):

Molecular Dynamics ◽

Dft Calculations ◽

Molecular Dynamics Simulations ◽

Optoelectronic Properties ◽

Nmr Characterization ◽

Ft Ir ◽

Dynamics Simulations ◽

Ft Raman

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Molecular structure, electronic properties, NLO, NBO analysis and spectroscopic characterization of Gabapentin with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.02.035 ◽

2013 ◽

Vol 109 ◽

pp. 298-307 ◽

Cited By ~ 26

Author(s):

Leena Sinha ◽

Mehmet Karabacak ◽

V. Narayan ◽

Mehmet Cinar ◽

Onkar Prasad

Keyword(s):

Molecular Structure ◽

Electronic Properties ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Spectroscopic Characterization ◽

Nbo Analysis ◽

Ft Ir ◽

Ft Raman

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