Vibrational spectroscopy and DFT calculations of di-amino acid cyclic peptides. Part I: cyclo(Gly-Gly), cyclo(L-Ala-L-Ala) and cyclo(L-Ala-Gly) in the solid state and in aqueous solution

2009 ◽  
Vol 40 (11) ◽  
pp. 1478-1497 ◽  
Author(s):  
Andrew P. Mendham ◽  
Trevor J. Dines ◽  
Martin J. Snowden ◽  
Babur Z. Chowdhry ◽  
Robert Withnall
Keyword(s):  
Aqueous Solution ◽  
Amino Acid ◽  
Solid State ◽  
Dft Calculations ◽  
Vibrational Spectroscopy ◽  
Cyclic Peptides

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

Vibrational spectroscopy and DFT calculations of amino acid derivatives:N-acetyl-L-Asp andN-acetyl-L-Glu in the solid state

2009 ◽  
Vol 40 (6) ◽  
pp. 670-678 ◽  
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

A hexaaza macrocyclic ligand containing acetohydrazide pendants for Ln(iii) complexation in aqueous solution. Solid-state and solution structures and DFT calculations

2008 ◽  
pp. 3841 ◽  
Author(s):  
Cristina Núñez ◽  
Rufina Bastida ◽  
Alejandro Macías ◽  
Marta Mato-Iglesias ◽  
Carlos Platas-Iglesias ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Solid State ◽  
Dft Calculations ◽  
Macrocyclic Ligand ◽  
Solution Structures

Vibrational spectroscopic studies of the structure of di-amino acid peptides. Part II: cyclo(L-Asp-L-Asp) in the solid state and in aqueous solution

2009 ◽  
Vol 40 (11) ◽  
pp. 1498-1507 ◽  
Author(s):  
Andrew P. Mendham ◽  
Trevor J. Dines ◽  
Robert Withnall ◽  
John C. Mitchell ◽  
Babur Z. Chowdhry
Keyword(s):  
Aqueous Solution ◽  
Amino Acid ◽  
Solid State ◽  
Spectroscopic Studies

scholarly journals Impacts of hydrogen bonding interactions with Np(v/vi)O2Cl4 complexes: vibrational spectroscopy, redox behavior, and computational analysis

2020 ◽  
Vol 49 (20) ◽  
pp. 6854-6866 ◽  
Author(s):  
Mikaela M. Pyrch ◽  
Jennifer L. Bjorklund ◽  
James M. Williams ◽  
Daniel L. Parr IV ◽  
Sara E. Mason ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Hydrogen Bonding ◽  
Solid State ◽  
Dft Calculations ◽  
Vibrational Spectroscopy ◽  
Computational Analysis ◽  
Cyclic Voltammograms ◽  
Redox Behavior ◽  
Hydrogen Bonding Interactions ◽  
Solid State Materials

Crystallization of neptunyl(v) tetrachlorides over neptunyl(vi) species occurs simultaneously with charge assisted hydrogen bonding in our solid state materials, which we explored by DFT calculations, cyclic voltammograms, and Raman spectroscopy.

Identifying Nanoscale M13 Clusters in the Solid State and Aqueous Solution: Vibrational Spectroscopy and Theoretical Studies

2013 ◽  
Vol 52 (10) ◽  
pp. 6187-6192 ◽  
Author(s):  
Milton N. Jackson ◽  
Lindsay A. Wills ◽  
I-Ya Chang ◽  
Matthew E. Carnes ◽  
Lawrence F. Scatena ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Solid State ◽  
Vibrational Spectroscopy ◽  
Theoretical Studies

IR/Raman spectroscopy and DFT calculations of cyclic di-amino acid peptides. Part III: comparison of solid state and solution structures of cyclo(L-Ser-L-Ser)

2009 ◽  
Vol 40 (11) ◽  
pp. 1508-1520 ◽  
Author(s):  
Andrew P. Mendham ◽  
Trevor J. Dines ◽  
M. J. Snowden ◽  
Robert Withnall ◽  
Babur Z. Chowdhry
Keyword(s):  
Raman Spectroscopy ◽  
Amino Acid ◽  
Solid State ◽  
Dft Calculations ◽  
Solution Structures
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