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Physical Chemistry Chemical Physics

High quality research in physical chemistry, chemical physics and biophysical chemistry.



Contents list for Physical Chemistry Chemical Physics, issue 36, 2007

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Front cover
Phys. Chem. Chem. Phys., 2007, 9, 4941
DOI: 10.1039/b713302m

front cover image for Physical Chemistry Chemical Physics, Issue 36, 2007

Inside front cover
Phys. Chem. Chem. Phys., 2007, 9, 4942
DOI: 10.1039/b713303k

Contents
Phys. Chem. Chem. Phys., 2007, 9, 4943
DOI: 10.1039/b713304a

Perspective

Energetics and kinetics of vacancy diffusion and aggregation in shocked aluminium via orbital-free density functional theory
Gregory Ho, Mitchell T. Ong, Kyle J. Caspersen and Emily A. Carter,  Phys. Chem. Chem. Phys., 2007, 9, 4951
DOI: 10.1039/b705455f

Communication

Single-colloidal-particle microcontact printing
Stephan Schmidt, Marc Nolte and Andreas Fery,  Phys. Chem. Chem. Phys., 2007, 9, 4967
DOI: 10.1039/b708722e

Papers

FTIR spectroscopy combined with quantum chemical calculations to investigate adsorbed nitrate on aluminium oxide surfaces in the presence and absence of co-adsorbed water
Jonas Baltrusaitis, Jennifer Schuttlefield, Jan H. Jensen and Vicki H. Grassian,  Phys. Chem. Chem. Phys., 2007, 9, 4970
DOI: 10.1039/b705189a

Supersonic jet studies of solvation effects on the spectroscopy and photophysics of 4-diethylaminopyridine
Izabela Szydowska, Yevgeniy Nosenko, Bernhard Brutschy, P. Tarakeshwar and Jerzy Herbich,  Phys. Chem. Chem. Phys., 2007, 9, 4981
DOI: 10.1039/b705532c

FTIR spectroscopy and thermodynamics of hydrogen adsorbed in a cross-linked polymer
Giuseppe Spoto, Jenny G. Vitillo, Donato Cocina, Alessandro Damin, Francesca Bonino and Adriano Zecchina,  Phys. Chem. Chem. Phys., 2007, 9, 4992
DOI: 10.1039/b704041e

Benchmark RI-MP2 database of nucleic acid base trimers: performance of different density functional models for prediction of structures and binding energies
Martin Kabelá, Haydee Valdes, Edward C. Sherer, Christopher J. Cramer and Pavel Hobza,  Phys. Chem. Chem. Phys., 2007, 9, 5000
DOI: 10.1039/b707182e

Laser-operated chiral molecular switch: quantum simulations for the controlled transformation between achiral and chiral atropisomers
Dominik Kröner and Bastian Klaumünzer,  Phys. Chem. Chem. Phys., 2007, 9, 5009
DOI: 10.1039/b705974d

Thermal effect on C–H stretching vibrations of the imidazolium ring in ionic liquids
A. Yokozeki, Daniel J. Kasprzak and Mark B. Shiflett,  Phys. Chem. Chem. Phys., 2007, 9, 5018
DOI: 10.1039/b706497g

Spectroscopic properties of trichlorofluoromethane CCl3F calculated by density functional theory
O. Anatole von Lilienfeld, Céline Léonard, Nicholas C. Handy, Stuart Carter, Martin Willeke and Martin Quack,  Phys. Chem. Chem. Phys., 2007, 9, 5027
DOI: 10.1039/b704995a

Reaction of phenylperoxy radicals with NO2 at 298 K
Stefan Jagiella and Friedhelm Zabel,  Phys. Chem. Chem. Phys., 2007, 9, 5036
DOI: 10.1039/b705193j

Back matter
Phys. Chem. Chem. Phys., 2007, 9, 5052
DOI: 10.1039/b713306p

Back cover
Phys. Chem. Chem. Phys., 2007, 9, 5055
DOI: 10.1039/b713307n