scholarly journals Spectroscopic Investigation (FT-IR, FT-RAMAN, UV and NMR), NBO, NLO Analysis and Fukui Function of 2, 5-Dichloroaniline by DFT Calculations

2017 ◽  
Vol 09 (04) ◽  
pp. 42-58
Author(s):  
G. Shakila ◽  
Dr.H. Saleem
Keyword(s):  
Dft Calculations ◽  
Spectroscopic Investigation ◽  
Fukui Function ◽  
Ft Ir ◽  
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

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

Molecular, vibrational (FT-IR and FT-Raman), NMR and UV spectral analysis of imidazo[1,2-b]pyridazine using experimental and DFT calculations

2020 ◽  
Vol 739 ◽  
pp. 136943 ◽  
Author(s):  
S. Sharmila Tagore ◽  
J. Swaminathan ◽  
D. Manikandan ◽  
S. Gomathi ◽  
S. Nirmal Ram ◽  
...  
Keyword(s):  
Spectral Analysis ◽  
Dft Calculations ◽  
Ft Ir ◽  
Ft Raman

FT-IR, FT-Raman and DFT calculations of the salicylanilide derivate 4-chloro-2-(4-bromophenylcarbamoyl)phenyl acetate

2009 ◽  
Vol 40 (9) ◽  
pp. 1211-1223 ◽  
Author(s):  
Hema Tresa Varghese ◽  
C. Yohannan Panicker ◽  
V.S. Madhavan ◽  
Samuel Mathew ◽  
Jarmila Vinsova ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Phenyl Acetate ◽  
Ft Ir ◽  
Ft Raman
Sign in / Sign up

Export Citation Format

Share Document