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Physical Chemistry Chemical Physics

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Contents list for Physical Chemistry Chemical Physics, issue 35, 2006

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Front cover
Phys. Chem. Chem. Phys., 2006, 8, 4033
DOI: 10.1039/b611856a

front cover image for Physical Chemistry Chemical Physics, Issue 35, 2006


Inside front cover
Phys. Chem. Chem. Phys., 2006, 8, 4034
DOI: 10.1039/b611857g

Contents
Phys. Chem. Chem. Phys., 2006, 8, 4035
DOI: 10.1039/b611858p

Invited Articles

Quantitative measurement and interpretation of optical second harmonic generation from molecular interfaces
Wen-kai Zhang, Hong-fei Wang and De-sheng Zheng,  Phys. Chem. Chem. Phys., 2006, 8, 4041
DOI: 10.1039/b608005g

Protein-bound chromophores astaxanthin and phytochromobilin: excited state quantum chemical studies
Bo Durbeej and Leif A. Eriksson,  Phys. Chem. Chem. Phys., 2006, 8, 4053
DOI: 10.1039/b605682b

Papers

Calculation of intermolecular interactions in the benzene dimer using coupled-cluster and local electron correlation methods
J. Grant Hill, James A. Platts and Hans-Joachim Werner,  Phys. Chem. Chem. Phys., 2006, 8, 4072
DOI: 10.1039/b608623c

Scalar relativistic calculations of hyperfine coupling tensors using the Douglas–Kroll–Hess method with a finite-size nucleus model
Elena Malkin, Irina Malkin, Olga L. Malkina, Vladimir G. Malkin and Martin Kaupp,  Phys. Chem. Chem. Phys., 2006, 8, 4079
DOI: 10.1039/b607044b

How are the ready and unready states of nickel–iron hydrogenase activated by H2? A density functional theory study
Prabha Jayapal, Mahesh Sundararajan, Ian H. Hillier and Neil A. Burton,  Phys. Chem. Chem. Phys., 2006, 8, 4086
DOI: 10.1039/b608069c

Spatial distribution of stabilizer-derived nitroxide radicals during thermal degradation of poly(acrylonitrile–butadiene–styrene) copolymers: a unified picture from pulsed ELDOR and ESR imaging
Gunnar Jeschke and Shulamith Schlick,  Phys. Chem. Chem. Phys., 2006, 8, 4095
DOI: 10.1039/b607826e

Synthesis and photophysical properties of a [60]fullerene compound with dimethylaniline and ferrocene connected through a pyrazolino group: a study by laser flash photolysis
Juan L. Delgado, Mohamed E. El-Khouly, Yasuyuki Araki, María J. Gómez-Escalonilla, Pilar de la Cruz, Frédéric Oswald, Osamu Ito and Fernando Langa,  Phys. Chem. Chem. Phys., 2006, 8, 4104
DOI: 10.1039/b602633h

Competing through-space and through-bond, intramolecular triplet-energy transfer in a supposedly rigid ruthenium(II) tris(2,2-bipyridine)–fullerene molecular dyad
Ben D. Allen, Andrew C. Benniston, Anthony Harriman, Laura J. Mallon and Consuelo Pariani,  Phys. Chem. Chem. Phys., 2006, 8, 4112
DOI: 10.1039/b609080j

Two grid refinement methods in the lattice Boltzmann framework for reaction–diffusion processes in complex systems
Davide Alemani, Bastien Chopard, Josep Galceran and Jacques Buffle,  Phys. Chem. Chem. Phys., 2006, 8, 4119
DOI: 10.1039/b605098k

Scanning pyroelectric microscopy revealing the spatial polarity distribution in topologically centric crystals of trans-4-chloro-4-nitrostilbene
N.-R. Behrnd, G. Couderc, M. Wübbenhorst and J. Hulliger,  Phys. Chem. Chem. Phys., 2006, 8, 4131
DOI: 10.1039/b607409j

Back matter
Phys. Chem. Chem. Phys., 2006, 8, 4137
DOI: 10.1039/b611859n

Back cover
Phys. Chem. Chem. Phys., 2006, 8, 4139
DOI: 10.1039/b611860g