Zobrazeno 1 - 10
of 108
pro vyhledávání: '"Trevor J. Dines"'
Publikováno v:
The Journal of Physical Chemistry A. 119:11280-11292
IR and Raman spectra of eugenol, isoeugenol and methyl eugenol have been obtained in the liquid phase. Vibrational spectroscopic results are discussed in relation to computed structures and spectra of the low energy conformations of these molecules o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::df3542836ed1a656f011e83d61e6acb3
https://doi.org/10.1021/acs.jpca.5b07607
https://doi.org/10.1021/acs.jpca.5b07607
Publikováno v:
Rapid Communications in Mass Spectrometry. 27:2399-2410
Ion mobility spectrometry-mass spectrometry (IMS-MS) offers an opportunity to combine measurements and/or calculations of the collision cross-sections and subsequent mass spectra with computational modelling in order to derive the three-dimensional s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::61bdac7f907e852eb112b5bf5d9efd11
https://doi.org/10.1002/rcm.6700
https://doi.org/10.1002/rcm.6700
Publikováno v:
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 96:972-985
Solid-state Raman and IR spectra of two polymorphic forms of each of three fenamates (flufenamic acid, mefenamic acid and tolfenamic acid) display subtle but highly reproducible differences. Many of these spectral differences can be ascribed to diffe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d1618a762cfa1ac6b539c967e4e8b1c1
https://doi.org/10.1016/j.saa.2012.07.129
https://doi.org/10.1016/j.saa.2012.07.129
Autor:
Babur Z. Chowdhry, Rex A. Palmer, Andrew P. Mendham, John Spencer, Graham J. Tizzard, Trevor J. Dines, Muhammad Mujahid, Simon J. Coles
Publikováno v:
Journal of Chemical Crystallography. 41:1323-1327
The cyclic di-amino acid peptide N,N′-diacetyl-cyclo(Gly-Gly), C8H10N2O4, crystallizes in the triclinic space group $$ P\bar{1} $$ with unit cell parameters a = 9.4855(4) A, b = 10.0250(3) A, c = 10.0763(4) A, α = 73.682(2)°, β = 82.816(2)°, γ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::822645976e078344aefc0b02dfe8ef12
https://doi.org/10.1007/s10870-011-0097-4
https://doi.org/10.1007/s10870-011-0097-4
Autor:
John Spencer, Rex A. Palmer, Graham J. Tizzard, Trevor J. Dines, Babur Z. Chowdhry, Andrew P. Mendham, Simon J. Coles, Muhammad Mujahid
Publikováno v:
Journal of Chemical Crystallography. 41:1328-1334
The cyclic di-amino acid peptide cyclo(l-homoCySH-l-homoCySH) [(3S, 6S)-3, 6-bis(2-sulfanylethyl) piperazine-2,5-dione, C8H14N2O2S2, crystallizes in the orthorhombic space group P212121 with unit cell parameters a = 6.1509(2) A, b = 18.0217(9) A, c =
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::55f01f771c37e260db7b09c845f56da4
https://doi.org/10.1007/s10870-011-0098-3
https://doi.org/10.1007/s10870-011-0098-3
Publikováno v:
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 78:918-925
Solid state IR and Raman as well as aqueous solution state Raman spectra are reported for the anions of urazole and 4-methylurazole, and their N-deuterated derivatives. DFT calculations, at the B3-LYP/cc-pVTZ level, established that the structures an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::088beb8141047ae79ac87a9ad3bef319
https://doi.org/10.1016/j.saa.2010.10.028
https://doi.org/10.1016/j.saa.2010.10.028
Autor:
I. T. Shadi, Stephen A. Leharne, Babur Z. Chowdhry, Trevor J. Dines, John P. Ryall, Robert Withnall
Publikováno v:
Journal of Raman Spectroscopy. 42:230-238
Infrared (IR) and Raman spectra were obtained for N,N′ dicyclohexylcarbodiimide (DCC) in the solid state and in CHCl3 solution. Structures and vibrational spectra of isolated, gas-phase DCC molecules with C2 and Ci symmetries, computed at the B3-LY
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f4801c3676dc56d09ee85de613d5fc55
https://doi.org/10.1002/jrs.2674
https://doi.org/10.1002/jrs.2674
Publikováno v:
Journal of Raman Spectroscopy. 42:1174-1184
Single-crystal Raman and polycrystalline thin-film infrared measurements have been obtained for the polar organic nonlinear optical material 2-(alpha-methylbenzylamino)-5-nitropyridine(MBANP). For comparison, thin-film polycrystalline infrared measur
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::16cf105c677877c5b0fbb115e7442e57
https://doi.org/10.1002/jrs.2803
https://doi.org/10.1002/jrs.2803
Publikováno v:
Chemical Physics. 373:219-227
Solid-state IR and Raman as well as aqueous solution state Raman spectra are reported for urazole, 4-methylurazole and their deuterated derivatives. DFT calculations, at the B3-LYP/cc-pVTZ level, established that the structures and vibrational spectr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0495dca4d4395b01033d5c2ca171908c
https://doi.org/10.1016/j.chemphys.2010.05.014
https://doi.org/10.1016/j.chemphys.2010.05.014
Autor:
Trevor J. Dines, Brian S. Potter, Rex A. Palmer, Babur Z. Chowdhry, Nighat Kausar, Bruce D. Alexander, Madeleine Helliwell
Publikováno v:
Journal of Chemical Crystallography. 40:602-607
N-acetyl-l-glutamic acid, crystallizes in the orthorhombic space group P212121 with unit cell parameters a = 4.747(3), b = 12.852(7), c = 13.906(7) A, V = 848.5(8) A3, Z = 4, density (calculated) = 1.481 mg/m3, linear absorption coefficient 0.127 mm
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a565f6ba709d31be3366ac0dfab72a87
https://doi.org/10.1007/s10870-010-9704-z
https://doi.org/10.1007/s10870-010-9704-z