Spectroscopic [FT-IR and FT-Raman] and theoretical [UV–Visible and NMR] analysis on α-Methylstyrene by DFT calculations

2015 ◽  
Vol 143 ◽  
pp. 107-119 ◽  
Author(s):  
N. Karthikeyan ◽  
J. Joseph Prince ◽  
S. Ramalingam ◽  
S. Periandy
Keyword(s):  
Dft Calculations ◽  
Nmr Analysis ◽  
Ft Ir ◽  
Uv Visible ◽  
Ft Raman

scholarly journals FT-IR, FT-Raman, UV–Visible, NMR, DFT and molecular docking investigation of 1-(phenyl (piperidin-1-yl) methyl) naphthalene-2-ol

2021 ◽  
Vol 3 ◽  
pp. 100096
Author(s):  
P. Rajamani ◽  
V. Vijayakumar ◽  
N. Sundaraganesan ◽  
Mani Jeeva ◽  
Maria Susai Boobalan
Keyword(s):  
Molecular Docking ◽  
Ft Ir ◽  
Uv Visible ◽  
Methyl Naphthalene ◽  
Ft Raman

FT-IR, FT-Raman spectra and ab initio HF and DFT calculations of 4-N,N′-dimethylamino pyridine

2008 ◽  
Vol 71 (3) ◽  
pp. 898-906 ◽  
Author(s):  
N. Sundaraganesan ◽  
S. Kalaichelvan ◽  
C. Meganathan ◽  
B. Dominic Joshua ◽  
J. Cornard
Keyword(s):  
Dft Calculations ◽  
Ab Initio ◽  
Raman Spectra ◽  
Ft Ir ◽  
Hf And Dft Calculations ◽  
Ab Initio Hf ◽  
Ft Raman

scholarly journals Spectroscopic studies on the potassium 1-fluorobenzoyltrifluoroborate salt by using the FT-IR, Raman and UV–Visible spectra and DFT calculations

2020 ◽  
Vol 1204 ◽  
pp. 127534 ◽  
Author(s):  
Maximiliano A. Iramain ◽  
Ana E. Ledesma ◽  
Elizabeth Imbarack ◽  
Patricio Leyton Bongiorno ◽  
Silvia Antonia Brandán
Keyword(s):  
Dft Calculations ◽  
Spectroscopic Studies ◽  
Visible Spectra ◽  
Ft Ir ◽  
Uv Visible

Structural and SQMFF study of potent insecticide 4′,4′-DDT combining the FT-IR and FT-Raman spectra with DFT calculations

2020 ◽  
Vol 1199 ◽  
pp. 126964 ◽  
Author(s):  
Maximiliano A. Iramain ◽  
María V. Castillo ◽  
Lilian Davies ◽  
María E. Manzur ◽  
Silvia Antonia Brandán
Keyword(s):  
Dft Calculations ◽  
Raman Spectra ◽  
Ft Ir ◽  
Ft Raman

Vibrational Characterization ofl-Leucine Phosphonate Analogues: FT-IR, FT-Raman, and SERS Spectroscopy Studies and DFT Calculations

2011 ◽  
Vol 115 (40) ◽  
pp. 11067-11078 ◽  
Author(s):  
Edyta Podstawka-Proniewicz ◽  
Natalia Piergies ◽  
Dominika Skołuba ◽  
Paweł Kafarski ◽  
Younkyoo Kim ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Ft Ir ◽  
Spectroscopy Studies ◽  
Ft Raman ◽  
Vibrational Characterization

FT-Raman and FT-IR spectra and DFT calculations of chalcone (2 E )-1-(4-aminophenyl)-3-phenyl-prop-2-en-1-one

2018 ◽  
Vol 97 ◽  
pp. 1-7 ◽  
Author(s):  
R.N.S. Santiago ◽  
P.T.C. Freire ◽  
A.M.R. Teixeira ◽  
P.N. Bandeira ◽  
H.S. Santos ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Ir Spectra ◽  
Ft Ir ◽  
Ft Raman
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