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Contents list for Physical Chemistry Chemical Physics, issue 21, 2005
Front cover
Phys. Chem. Chem. Phys., 2005, 7, 3641
DOI: 10.1039/b514149b
Inside front cover
Phys. Chem. Chem. Phys., 2005, 7, 3642
DOI: 10.1039/b514150h
Contents
Phys. Chem. Chem. Phys., 2005, 7, 3643
DOI: 10.1039/b514151f
Invited Articles
Computer simulation of polypeptide adsorption on model biomaterials
Fabio Ganazzoli and Giuseppina Raffaini,
Phys. Chem. Chem. Phys., 2005, 7, 3651
DOI: 10.1039/b506813d
Molecular structure calculations without clamping the nuclei
Brian T. Sutcliffe and R. Guy Woolley,
Phys. Chem. Chem. Phys., 2005, 7, 3664
DOI: 10.1039/b509723c
Communication
The effect of torsion angle on the rate of intramolecular triplet energy transfer
Andrew C. Benniston, Anthony Harriman, Peiyi Li, Pritesh V. Patel and Craig A. Sams,
Phys. Chem. Chem. Phys., 2005, 7, 3677
DOI: 10.1039/b512307k
Papers
SPECTROSCOPY
Rotationally resolved electronic spectroscopy of tryptophol in the gas phase
John T. Yi and David W. Pratt,
Phys. Chem. Chem. Phys., 2005, 7, 3680
DOI: 10.1039/b508610h
The high resolution inelastic neutron scattering spectrum of ammonium fluoride
Mark A. Adams, Keith Refson and Barbara J. Gabrys,
Phys. Chem. Chem. Phys., 2005, 7, 3685
DOI: 10.1039/b505543a
KINETICS AND REACTION DYNAMICS
Calculation of adiabatic polarization of atomic photofragments under the influence of long range quadrupole–quadrupole interactions
Andrew J. Alexander,
Phys. Chem. Chem. Phys., 2005, 7, 3693
DOI: 10.1039/b509864e
A temperature-dependent relative-rate study of the OH initiated oxidation of n-butane: The kinetics of the reactions of the 1- and 2-butoxy radicals
Paola Cassanelli, D. Johnson and R. Anthony Cox,
Phys. Chem. Chem. Phys., 2005, 7, 3702
DOI: 10.1039/b507137b
Mechanism of HCS + O2 reaction: Hydrogen- or oxygen-transfer?
Hao Dong, Yi-hong Ding and Chia-chung Sun,
Phys. Chem. Chem. Phys., 2005, 7, 3711
DOI: 10.1039/b508904b
Inclined N2 desorption in N2O reduction by D2 and CO on Pd(110)
Yunsheng Ma, Anton Kokalj and Tatsuo Matsushima,
Phys. Chem. Chem. Phys., 2005, 7, 3716
DOI: 10.1039/b508654j
Experimental study and Monte-Carlo simulation of the nucleation and growth processes during the dehydration of Li2SO4·H2O single crystals
Loïc Favergeon, Michèle Pijolat, Françoise Valdivieso and Céline Helbert,
Phys. Chem. Chem. Phys., 2005, 7, 3723
DOI: 10.1039/b507644g
STATISTICAL MECHANICS AND THERMODYNAMICS
Artificial multiple criticality and phase equilibria: an investigation of the PC-SAFT approach
Leonid Yelash, Marcus Müller, Wolfgang Paul and Kurt Binder,
Phys. Chem. Chem. Phys., 2005, 7, 3728
DOI: 10.1039/b509101m
The low-temperature proton-ordered phases of ice predicted by ab initio methods
Jer-Lai Kuo,
Phys. Chem. Chem. Phys., 2005, 7, 3733
DOI: 10.1039/b508736h
ELECTROCHEMISTRY
The electron transfer rate of large TPA based compounds: a joint theoretical and electrochemical approach
Alessandra Degli Esposti, Valeria Fattori, Cristiana Sabatini, Giuseppe Casalbore-Miceli and Giancarlo Marconi,
Phys. Chem. Chem. Phys., 2005, 7, 3738
DOI: 10.1039/b509149g
BIOPHYSICAL CHEMISTRY
The low energy tautomers and conformers of the dipeptides HisGly and GlyHis and of their sodium ion complexes in the gas phase
Catherine Kapota and Gilles Ohanessian,
Phys. Chem. Chem. Phys., 2005, 7, 3744
DOI: 10.1039/b508092d
NANOSCIENCES
Structure and reactivity of C54q+(q= 0, 1, 2 and 4) fullerenes
Sergio Díaz-Tendero, Fernando Martín and Manuel Alcamí,
Phys. Chem. Chem. Phys., 2005, 7, 3756
DOI: 10.1039/b508982d
Back matter
Phys. Chem. Chem. Phys., 2005, 7, 3762
DOI: 10.1039/b514152b
Back cover
Phys. Chem. Chem. Phys., 2005, 7, 3763
DOI: 10.1039/b514153m
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