scholarly journals A conformational study of hydroxyflavones by vibrational spectroscopy coupled to DFT calculations

2013 ◽  
Vol 109 ◽  
pp. 116-124 ◽  
Author(s):  
N.F.L. Machado ◽  
L.A.E. Batista de Carvalho ◽  
J.C. Otero ◽  
M.P.M. Marques
Keyword(s):  
Dft Calculations ◽  
Vibrational Spectroscopy ◽  
Conformational Study

Conformational study of (R)-(+)-limonene in the liquid phase using vibrational spectroscopy (IR, Raman, and VCD) and DFT calculations

2009 ◽  
Vol 20 (1) ◽  
pp. 89-97 ◽  
Author(s):  
Francisco Partal Ureña ◽  
Juan Ramón Avilés Moreno ◽  
Juan Jesús López González
Keyword(s):  
Liquid Phase ◽  
Dft Calculations ◽  
Vibrational Spectroscopy ◽  
Conformational Study

scholarly journals A conformational study of hydroxylated isoflavones by vibrational spectroscopy coupled with DFT calculations

2013 ◽  
Vol 68 ◽  
pp. 257-265 ◽  
Author(s):  
N.F.L. Machado ◽  
L.A.E. Batista de Carvalho ◽  
J.C. Otero ◽  
M.P.M. Marques
Keyword(s):  
Dft Calculations ◽  
Vibrational Spectroscopy ◽  
Conformational Study

Vibrational spectroscopy and DFT calculations of N,N′-dicyclohexylcarbodiimide

2011 ◽  
Vol 42 (2) ◽  
pp. 230-238 ◽  
Author(s):  
Babur Z. Chowdhry ◽  
Trevor J. Dines ◽  
Stephen A. Leharne ◽  
John P. Ryall ◽  
Iqbal T. Shadi ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Vibrational Spectroscopy

Structural study and characterization of the dipeptide 2-[[5-amino-5-oxo-2-(phenylmethoxycarbonylamino) pentanoyl] amino] acetic acid by vibrational spectroscopy and DFT calculations

2013 ◽  
Vol 1031 ◽  
pp. 110-118 ◽  
Author(s):  
Patricio Leyton ◽  
Carolina Paipa ◽  
Andrés Berrios ◽  
Antonio Zárate ◽  
María Victoria Castillo ◽  
...  
Keyword(s):  
Acetic Acid ◽  
Dft Calculations ◽  
Structural Study ◽  
Vibrational Spectroscopy

scholarly journals Long-range anisotropic effects in a V–shaped Tröger's base diformanilide: Conformational study by NMR assignment and DFT calculations

2018 ◽  
Vol 1157 ◽  
pp. 434-443 ◽  
Author(s):  
Leandro Trupp ◽  
Sergio L. Laurella ◽  
M. Cristina Tettamanzi ◽  
Beatriz C. Barja ◽  
Andrea C. Bruttomesso
Keyword(s):  
Dft Calculations ◽  
Long Range ◽  
Nmr Assignment ◽  
Conformational Study ◽  
Troger's Base

Vibrational spectroscopy and DFT calculations of di-amino acid peptides: α- and β-N-acetyl-L-Asp-L-Glu in the solid state

2009 ◽  
Vol 40 (6) ◽  
pp. 661-669 ◽  
Author(s):  
Nighat Kausar ◽  
Bruce D. Alexander ◽  
Trevor J. Dines ◽  
Robert Withnall ◽  
Babur Z. Chowdhry
Keyword(s):  
Amino Acid ◽  
Solid State ◽  
Dft Calculations ◽  
Vibrational Spectroscopy
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