Structural, vibrational (FT-IR and FT-Raman) and UV–Vis spectral analysis of 1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea by DFT method

2012 ◽  
Vol 95 ◽  
pp. 331-340 ◽  
Author(s):  
C. Meganathan ◽  
S. Sebastian ◽  
I. Sivanesan ◽  
Keun Woo Lee ◽  
Byoung Ryong Jeong ◽  
...  
Keyword(s):  
Spectral Analysis ◽  
Dft Method ◽  
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

scholarly journals Structural, electronic and optical properties of 2,5-dichloro-p-xylene: experimental and theoretical calculations using DFT method

RSC Advances ◽  
2017 ◽  
Vol 7 (3) ◽  
pp. 1401-1412 ◽  
Author(s):  
G. Venkatesh ◽  
M. Govindaraju ◽  
C. Kamal ◽  
P. Vennila ◽  
S. Kaya
Keyword(s):  
Optical Properties ◽  
Vibrational Spectra ◽  
Theoretical Calculations ◽  
Dft Method ◽  
Electronic And Optical Properties ◽  
Ft Ir ◽  
Ft Raman

The vibrational spectra including FT-IR and FT-Raman for 2,5-dichloro-p-xylene (DCPX) have been recorded.

scholarly journals Experimental and computational analysis (DFT method) of some quinoxalinones and benzoxazinones: spectroscopic investigation (FT-IR, FT-Raman, UV-Vis, NMR)

2019 ◽  
Vol 131 (10) ◽  
Author(s):  
Jelena Petronijević ◽  
Nenad Joksimović ◽  
Zorica Bugarčić ◽  
Elvira Đurđić ◽  
Nenad Janković
Keyword(s):  
Spectroscopic Investigation ◽  
Computational Analysis ◽  
Dft Method ◽  
Ft Ir ◽  
Ft Raman

FT-IR, FT-Raman, NMR spectral analysis and theoretical NBO, HOMO–LUMO analysis of bis(4-amino-5-mercapto-1,2,4-triazol-3-yl)ethane by ab initio HF and DFT methods

2010 ◽  
Vol 981 (1-3) ◽  
pp. 59-70 ◽  
Author(s):  
S. Subashchandrabose ◽  
Akhil R. Krishnan ◽  
H. Saleem ◽  
V. Thanikachalam ◽  
G. Manikandan ◽  
...  
Keyword(s):  
Spectral Analysis ◽  
Ab Initio ◽  
Dft Methods ◽  
Ft Ir ◽  
Ab Initio Hf ◽  
Homo Lumo ◽  
Ft Raman

FT-Raman, FT-IR spectra and total energy distribution of 3-pentyl-2,6-diphenylpiperidin-4-one: DFT method

2011 ◽  
Vol 82 (1) ◽  
pp. 260-269 ◽  
Author(s):  
S. Subashchandrabose ◽  
H. Saleem ◽  
Y. Erdogdu ◽  
G. Rajarajan ◽  
V. Thanikachalam
Keyword(s):  
Energy Distribution ◽  
Ir Spectra ◽  
Total Energy ◽  
Dft Method ◽  
Ft Ir ◽  
Total Energy Distribution ◽  
Ft Raman

scholarly journals FT-IR, FT-Raman and UV-Visible Spectral Analysis on (E)-N′-(thiophen-2-ylmethylene) Nicotinohydrazide

2017 ◽  
Vol 01 (02) ◽  
Author(s):  
Bharanidharan S ◽  
Saleem H ◽  
Subashchandrabose S ◽  
Suresh M ◽  
Ramesh Babu N
Keyword(s):  
Spectral Analysis ◽  
Ft Ir ◽  
Uv Visible ◽  
Ft Raman
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