Items where Greenwich Author is "Withnall, Robert"
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Article
Ryall, John R., Dines, Trevor J., Chowdhry, Babur Z., Leharne, Stephen A. and Withnall, Robert (2011) Vibrational spectra and structures of the anions of urazole and 4-methylurazole: DFT calculations of the normal modes and the influence of hydrogen bonding. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 78 (3). pp. 918-925. ISSN 1386-1425 (doi:https://doi.org/10.1016/j.saa.2010.10.028)
Chowdhry, Babur Z., Dines, Trevor J., Leharne, Stephen A., Ryall, John P., Shadi, Iqbal T. and Withnall, Robert (2011) Vibrational spectroscopy and DFT calculations of N,N′-dicyclohexylcarbodiimide. Journal of Raman Spectroscopy, 42 (2). pp. 230-238. ISSN 0377-0486 (doi:https://doi.org/10.1002/jrs.2674)
Jabeen, Saima, Dines, Trevor J., Leharne, Stephen A., Withnall, Robert and Chowdhry, Babur Z. (2010) A vibrational spectroscopic investigation of rhodanine and its derivatives in the solid state. Journal of Raman Spectroscopy, 41 (10). pp. 1306-1317. ISSN 0377-0486 (doi:https://doi.org/10.1002/jrs.2573)
Ryall, John P., Dines, Trevor J., Chowdhry, Babur Z., Leharne, Stephen A. and Withnall, Robert (2010) Vibrational spectra and structures of urazole and 4-methylurazole: DFT calculations of the normal modes in aqueous solution and in the solid state, and the influence of hydrogen bonding. Chemical Physics, 373 (3). pp. 219-227. ISSN 0301-0104 (doi:https://doi.org/10.1016/j.chemphys.2010.05.014)
Mendham, Andrew P., Potter, Brian S., Palmer, Rex A., Dines, Trevor J., Mitchell, John C.
ORCID: 0000-0003-2945-3292
, Withnall, Robert and Chowdhry, Babur Z.
(2009)
Vibrational spectra and crystal structure of the di-amino acid peptide cyclo(L-Met-L-Met): Comparison of experimental data and DFT calculations.
Journal of Raman Spectroscopy, 41 (2).
pp. 148-159.
ISSN 0377-0486 (Print), 1097-4555 (Online)
(doi:https://doi.org/10.1002/jrs.2426)
Jabeen, Saima, Dines, Trevor J., Withnall, Robert, Leharne, Stephen A. and Chowdhry, Babur Z. (2009) Surface-enhanced Raman scattering studies of rhodanines: Evidence for substrate surface-induced dimerization. Physical Chemistry Chemical Physics, 11 (34). pp. 7476-7483. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/b905008f)
Mendham, Andrew P., Dines, Trevor J., Snowden, M.J.
ORCID: 0000-0002-1087-2692
, Withnall, Robert and Chowdhry, Babur Z.
(2009)
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).
Journal of Raman Spectroscopy, 40 (11).
pp. 1508-1520.
ISSN 0377-0486 (Print), 1097-4555 (Online)
(doi:https://doi.org/10.1002/jrs.2306)
Mendham, Andrew P., Dines, Trevor J., Withnall, Robert, Mitchell, John C.
ORCID: 0000-0003-2945-3292
and Chowdhry, Babur Z.
(2009)
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.
Journal of Raman Spectroscopy, 40 (11).
pp. 1498-1507.
ISSN 0377-0486 (Print), 1097-4555 (Online)
(doi:https://doi.org/10.1002/jrs.2307)
Mendham, Andrew P., Dines, Trevor J., Snowden, Martin J.
ORCID: 0000-0002-1087-2692
, Chowdhry, Babur Z. and Withnall, Robert
(2009)
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.
Journal of Raman Spectroscopy, 40 (11).
pp. 1478-1497.
ISSN 0377-0486 (Print), 1097-4555 (Online)
(doi:https://doi.org/10.1002/jrs.2293)
Kausar, Nighat, Alexander, Bruce D., Dines, Trevor J., Withnall, Robert and Chowdhry, Babur Z. (2009) Vibrational spectroscopy and DFT calculations of amino acid derivatives: N-acetyl-L-Asp and N-acetyl-L-Glu in the solid state. Journal of Raman Spectroscopy, 40 (6). pp. 670-678. ISSN 0377-0486 (Print), 1097-4555 (Online) (doi:https://doi.org/10.1002/jrs.2180)
Chowdhry, Babur Z., Dines, Trevor J., Jabeen, Saima and Withnall, Robert (2008) Vibrational spectra of α-amino acids in the zwitterionic state in aqueous solution and the solid state: DFT calculations and the influence of hydrogen bonding. The Journal of Physical Chemistry A, 112 (41). pp. 10333-10347. ISSN 1089-5639 (Print), 1520-5215 (Online) (doi:https://doi.org/10.1021/jp8037945)
Withnall, Robert, Chowdhry, Babur Z., Bell, Stephen and Dines, Trevor J. (2007) Computational chemistry using modern electronic structure methods. Journal of Chemical Education, 84 (8). pp. 1364-1370. ISSN 0021-9584 (Print), 1938-1328 (Online) (doi:https://doi.org/10.1021/ed084p1364)
Edited Book
Withnall, Rob and Chowdhry, Babur Z. (eds.) (2008) Proceedings of the XXIst international conference on Raman spectroscopy. IMP Publications LLP, Chichester, UK. ISBN 9781906715007, 1906715009 (doi:ISBN 978-1-906715-007)