Article

Chowdhry, Babur, Dines, Trevor, Mendham, Andrew and Ryall, John (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). pp. 11280-11292. ISSN 1089-5639 (Print), 1520-5215 (Online) (doi:10.1021/acs.jpca.5b07607)

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:10.1021/jp8037945)

Pang, Jiayun ORCID: https://orcid.org/0000-0003-0689-8440, Scrutton, Nigel S., de Visser, Sam P. and Sutcliffe, Michael J. (2009) Assignment of the vibrational spectra of enzyme-bound tryptophan tryptophyl quinones using a combined QM/MM approach. The Journal of Physical Chemistry A, 114 (2). pp. 1212-1217. ISSN 1089-5639 (Print), 1520-5215 (Online) (doi:10.1021/jp910161k)

Zeinalipour-Yazdi, Constantinos D. ORCID: https://orcid.org/0000-0002-8388-1549 and van Santen, Rutger A. (2009) Kinetic rates and linear free energy relationships for water dissociation on transition and noble metal dimers. The Journal of Physical Chemistry A, 113 (25). pp. 6971-6978. ISSN 1089-5639 (Print), 1520-5215 (Online) (doi:10.1021/jp902139m)