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Chowdhry, Babur Z., Ryall, John P., Dines, Trevor J., Mendham, Andrew P. (2015) Infrared and Raman Spectroscopy of Eugenol, Isoeugenol, and Methyl Eugenol: Conformational Analysis and Vibrational Assignments from Density Functional Theory Calculations of the Anharmonic Fundamentals. The Journal of Physical Chemistry A, 119 (46). 11280-11292 doi:10.1021/acs.jpca.5b07607

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Reference TypeJournal (article/letter/editorial)
TitleInfrared and Raman Spectroscopy of Eugenol, Isoeugenol, and Methyl Eugenol: Conformational Analysis and Vibrational Assignments from Density Functional Theory Calculations of the Anharmonic Fundamentals
JournalThe Journal of Physical Chemistry A
AuthorsChowdhry, Babur Z.Author
Ryall, John P.Author
Dines, Trevor J.Author
Mendham, Andrew P.Author
Year2015 (November 19)Volume119
Issue46
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jpca.5b07607Search in ResearchGate
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Mindat Ref. ID3965591Long-form Identifiermindat:1:5:3965591:0
GUID0
Full ReferenceChowdhry, Babur Z., Ryall, John P., Dines, Trevor J., Mendham, Andrew P. (2015) Infrared and Raman Spectroscopy of Eugenol, Isoeugenol, and Methyl Eugenol: Conformational Analysis and Vibrational Assignments from Density Functional Theory Calculations of the Anharmonic Fundamentals. The Journal of Physical Chemistry A, 119 (46). 11280-11292 doi:10.1021/acs.jpca.5b07607
Plain TextChowdhry, Babur Z., Ryall, John P., Dines, Trevor J., Mendham, Andrew P. (2015) Infrared and Raman Spectroscopy of Eugenol, Isoeugenol, and Methyl Eugenol: Conformational Analysis and Vibrational Assignments from Density Functional Theory Calculations of the Anharmonic Fundamentals. The Journal of Physical Chemistry A, 119 (46). 11280-11292 doi:10.1021/acs.jpca.5b07607
In(2015, November) The Journal of Physical Chemistry A Vol. 119 (46) American Chemical Society (ACS)

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Chowdhry, Babur Z., Dines, Trevor J., Leharne, Stephen A., Ryall, John P., Shadi, Iqbal T., Withnall, Robert (2011) Vibrational spectroscopy and DFT calculations of N,N′-dicyclohexylcarbodiimide. Journal of Raman Spectroscopy, 42 (2). 230-238 doi:10.1002/jrs.2674
Mendham, Andrew P., Dines, Trevor J., Withnall, Robert, Mitchell, John C., 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). 1498-1507 doi:10.1002/jrs.2307
Mendham, Andrew P., Dines, Trevor J., Snowden, M. J., Withnall, Robert, 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). 1508-1520 doi:10.1002/jrs.2306
Mendham, Andrew P., Dines, Trevor J., Snowden, Martin J., Chowdhry, Babur Z., 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). 1478-1497 doi:10.1002/jrs.2293
Ryall, John P., Dines, Trevor J., Chowdhry, Babur Z., Leharne, Stephen A., 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) 918-925 doi:10.1016/j.saa.2010.10.028
Ryall, John P., Dines, Trevor J., Chowdhry, Babur Z., Leharne, Stephen A., 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. 219-227 doi:10.1016/j.chemphys.2010.05.014
Olbert-Majkut, Adriana, Wierzejewska, Maria (2008) Conformational Study of Eugenol by Density Functional Theory Method and Matrix-Isolation Infrared Spectroscopy. The Journal of Physical Chemistry A, 112 (25). 5691-5699 doi:10.1021/jp801430d
Kausar, Nighat, Dines, Trevor J., Chowdhry, Babur Z., Alexander, Bruce D. (2009) Vibrational spectroscopy and DFT calculations of the di-amino acid peptide l-aspartyl-l-glutamic acid in the zwitterionic state. Physical Chemistry Chemical Physics, 11 (30). 6389pp. doi:10.1039/b903131f
Kausar, Nighat, Alexander, Bruce D., Dines, Trevor J., Withnall, Robert, Chowdhry, Babur Z. (2009) Vibrational spectroscopy and DFT calculations of amino acid derivatives:N-acetyl-L-Asp andN-acetyl-L-Glu in the solid state. Journal of Raman Spectroscopy, 40 (6). 670-678 doi:10.1002/jrs.2180
Jabeen, Saima, Dines, Trevor J., Leharne, Stephen A., Withnall, Robert, Chowdhry, Babur Z. (2010) A vibrational spectroscopic investigation of rhodanine and its derivatives in the solid state. Journal of Raman Spectroscopy, 41 (10). 1306-1317 doi:10.1002/jrs.2573
Kausar, Nighat, Alexander, Bruce D., Dines, Trevor J., Withnall, Robert, Chowdhry, Babur Z. (2009) Vibrational spectroscopy and DFT calculations of di-amino acid peptides: α- and β-N-acetyl-L-Asp-L-Glu in the solid state. Journal of Raman Spectroscopy, 40 (6). 661-669 doi:10.1002/jrs.2179
 
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