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1 . Academic Journal
Surface-enhanced Raman scattering studies of rhodanines: evidence for substrate surface-induced dimerizationElectronic supplementary information (ESI) available: TD-DFT (B3-LYP/cc-pVDZ) calculations of the electronic transitions of the rhodanine Zisomer dimer (Table S1); TD-DFT (B3-LYP/cc-pVDZ) calculations of the ten lowest energy singlet electronic transitions of the Eisomer Rd (N+C) dimer, orbital 66 is the HOMO and orbital 67 is the LUMO (Table S2); calculated structures and SERS spectra for hypothetical (“polymer”/N+C) rhodanine dimers in the absence and presence of silver nanoparticles (Fig. S1/S2). See DOI: 10.1039/b905008f
저자
by
Saima Jabeen
;
Trevor J. Dines
;
Robert Withnall
;
Stephen A. Leharne
;
Babur Z. Chowdhry
.
소스
Physical Chemistry Chemical Physics (PCCP); 9/14/2009, Vol. 11 Issue 34, p7476-7483, 8p
Full Text (RSC Gold)
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7 . Academic Journal
Vibrational spectroscopy and DFT calculations of the di-amino acid peptide l-aspartyl-l-glutamic acid in the zwitterionic stateElectronic supplementary information (ESI) available: Listing of all computed interbond angles and dihedral angles (Table S1); symmetry-adapted internal coordinates (Table S2). See DOI: 10.1039/b903131f
저자
by
Nighat Kausar
;
Trevor J. Dines
;
Babur Z. Chowdhry
;
Bruce D. Alexander
.
소스
Physical Chemistry Chemical Physics (PCCP); Aug2009, Vol. 11 Issue 30, p6389-6400, 12p
Full Text (RSC Gold)
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6 . Academic Journal
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.
저자
by
Babur Z. Chowdhry
;
Saima Jabeen
;
Robert Withnall
;
Trevor J. Dines
.
소스
Journal of Physical Chemistry A
. Sep2008, Vol. 112 Issue 41, p10333-10347. 15p.
Full Text (ACS)
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6 . Academic Journal
A resonance Raman spectroscopic study of the protonation of 4-(phenylazo)-diphenylamine and 4-(4′-nitrophenylazo)-diphenylamine in solution and adsorbed on oxide surfaces.
저자
by
Trevor J. Dines
;
Louise D. MacGregor
;
Colin H. Rochester
.
소스
Physical Chemistry Chemical Physics (PCCP); Aug2004, Vol. 6 Issue 16, p4096-4104, 9p
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5 . Academic Journal
A SERRS spectroscopic investigation of nickel(ii) porphyrin complexes adsorbed at electrochemical interfaces.
저자
by
Bruce D. Alexander
;
Joseph A. Crayston
;
Trevor J. Dines
.
소스
Physical Chemistry Chemical Physics (PCCP); Jul2004, Vol. 6 Issue 13, p3576-3584, 9p
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5 . Academic Journal
Resonance Raman spectroscopic study of bis-azo pigments.
저자
by
Trevor J. Dines
;
Henrietta Onoh
.
소스
Journal of Raman Spectroscopy; Apr2004, Vol. 35 Issue 4, p284-298, 15p
Full Text (Wiley)
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4 .
Infrared and Raman Spectroscopy of Eugenol, Isoeugenol, and Methyl Eugenol: Conformational Analysis and Vibrational Assignments from Density Functional Theory Calculations of the Anharmonic Fundamentals
저자
by
John P. Ryall
;
Babur Z. Chowdhry
;
Trevor J. Dines
;
Andrew P. Mendham
.
소스
The Journal of Physical Chemistry A
. 119:11280-11292
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6 .
Can ion mobility mass spectrometry and density functional theory help elucidate protonation sites in 'small' molecules?
저자
by
George L. Perkins
;
Trevor J. Dines
;
Frank S. Pullen
;
Babur Z. Chowdhry
;
Cris Lapthorn
.
소스
Rapid Communications in Mass Spectrometry
. 27:2399-2410
Open Access (OpenAIRE)
Web of Science
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7 .
Raman and IR spectroscopic studies of fenamates – Conformational differences in polymorphs of flufenamic acid, mefenamic acid and tolfenamic acid
저자
by
Babur Z. Chowdhry
;
Saima Jabeen
;
Stephen A. Leharne
;
Trevor J. Dines
.
소스
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
. 96:972-985
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6 .
X-Ray Crystallographic Structure of the Cyclic Di-amino Acid Peptide: N,N′-Diacetyl-cyclo(Gly-Gly)
저자
by
Babur Z. Chowdhry
;
Rex A. Palmer
;
Andrew P. Mendham
;
John Spencer
;
Graham J. Tizzard
, et al.
소스
Journal of Chemical Crystallography
. 41:1323-1327
Full Text (Springer)
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