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Contents list for Physical Chemistry Chemical Physics, issue 36, 2008
Front cover
Phys. Chem. Chem. Phys., 2008, 10, 5477
DOI: 10.1039/b814572p
Inside front cover
Phys. Chem. Chem. Phys., 2008, 10, 5478
DOI: 10.1039/b814573n
Contents
Phys. Chem. Chem. Phys., 2008, 10, 5479
DOI: 10.1039/b814574c
Perspective
Beyond the Lennard-Jones model: a simple and accurate potential function probed by high resolution scattering data useful for molecular dynamics simulations
Fernando Pirani, Simona Brizi, Luiz F. Roncaratti, Piergiorgio Casavecchia, David Cappelletti and Franco Vecchiocattivi,
Phys. Chem. Chem. Phys., 2008, 10, 5489
DOI: 10.1039/b808524b
Communications
Tuning the shape of nanoparticles to control their catalytic properties: selective hydrogenation of 1,3-butadiene on Pd/Al2O3
Laurent Piccolo, Ana Valcarcel, Marta Bausach, Cécile Thomazeau, Denis Uzio and Gilles Berhault,
Phys. Chem. Chem. Phys., 2008, 10, 5504
DOI: 10.1039/b809651a
Site-selectivity of protonation in gaseous toluene
Barbara Chiavarino, Maria Elisa Crestoni, Barbara Di Rienzo, Simonetta Fornarini and Francesco Lanucara,
Phys. Chem. Chem. Phys., 2008, 10, 5507
DOI: 10.1039/b808710e
Papers
Pure component spectral analysis of surface adsorbed species measured under real conditions. BTEM-DRIFTS study of CO and NO reaction over a Pd/
-Al2O3 catalyst
Srilakshmi Chilukoti, Feng Gao, Bruce G. Anderson, J. W. Hans Niemantsverdriet and Marc Garland,
Phys. Chem. Chem. Phys., 2008, 10, 5510
DOI: 10.1039/b806890a
Effects of natural convection on thermal explosion in a closed vessel
Ting-Yueh Liu, Alasdair N. Campbell, Silvana S. S. Cardoso and Allan N. Hayhurst,
Phys. Chem. Chem. Phys., 2008, 10, 5521
DOI: 10.1039/b808222g
Photogeneration of metastable side-on N2 linkage isomers in [Ru(NH3)5N2]Cl2, [Ru(NH3)5N2]Br2 and [Os(NH3)5N2]Cl2
Dominik Schaniel, Theo Woike, Bernard Delley, Colette Boskovic and Hans-Ueli Güdel,
Phys. Chem. Chem. Phys., 2008, 10, 5531
DOI: 10.1039/b806933f
Origin of repulsive force and structure/dynamics of interfacial water in OEG–protein interactions: a molecular simulation study
Yi He, Yung Chang, Jason C. Hower, Jie Zheng, Shengfu Chen and Shaoyi Jiang,
Phys. Chem. Chem. Phys., 2008, 10, 5539
DOI: 10.1039/b807129b
Quasi-classical trajectory study of the adiabatic reactions occurring on the two lowest-lying electronic states of the LiH2+ system
Ilaria Pino, Rocco Martinazzo and Gian Franco Tantardini,
Phys. Chem. Chem. Phys., 2008, 10, 5545
DOI: 10.1039/b805750h
Solid-state phosphorus-31 NMR spectroscopy of a multiple-spin system: an investigation of a rhodium–triphosphine complex
Guy M. Bernard, Kirk W. Feindel, Roderick E. Wasylishen and T. Stanley Cameron,
Phys. Chem. Chem. Phys., 2008, 10, 5552
DOI: 10.1039/b803596b
Synthesis and infrared characterization of Br–HBr and Br–DBr entrance channel complexes in solid parahydrogen
Sharon C. Kettwich, Laura F. Pinelo and David T. Anderson,
Phys. Chem. Chem. Phys., 2008, 10, 5564
DOI: 10.1039/b806276e
Characterization of nanoparticles in diluted clear solutions for Silicalite-1 zeolite synthesis using liquid 29Si NMR, SAXS and DLS
L. R. A. Follens, A. Aerts, M. Haouas, T. P. Caremans, B. Loppinet, B. Goderis, J. Vermant, F. Taulelle, J. A. Martens and C. E. A. Kirschhock,
Phys. Chem. Chem. Phys., 2008, 10, 5574
DOI: 10.1039/b805520c
Controlling ZnO morphology for improved methanol steam reforming reactivity
Ayman M. Karim, Travis Conant and Abhaya K. Datye,
Phys. Chem. Chem. Phys., 2008, 10, 5584
DOI: 10.1039/b800009c
N-Dependence problem of local hardness parameter
Soumen Saha and Ram Kinkar Roy,
Phys. Chem. Chem. Phys., 2008, 10, 5591
DOI: 10.1039/b802966k
Nuclear quadrupole hyperfine structure in HC14N/H14NC and DC15N/D15NC isomerization: a diagnostic tool for characterizing vibrational localization
Bryan M. Wong,
Phys. Chem. Chem. Phys., 2008, 10, 5599
DOI: 10.1039/b807672c
Theoretical exploration of the cooperative effect in NMF–NMF–amino acid residue hydrogen bonding system
Xichen Li, Wenlan Liu, Kening Sun, Yan Wang, Hongwei Tan and Guangju Chen,
Phys. Chem. Chem. Phys., 2008, 10, 5607
DOI: 10.1039/b804291h
Effects of relative humidity and CO(g) on the O3-initiated oxidation reaction of Hg0(g): kinetic & product studies
Graydon Snider, Farhad Raofie and Parisa A. Ariya,
Phys. Chem. Chem. Phys., 2008, 10, 5616
DOI: 10.1039/b801226a
A theoretical study of medium effects on the structure of the glycine analogue aminomethylphosphonic acid
Nasséra Benbrahim, Ali Rahmouni and Manuel F. Ruiz-López,
Phys. Chem. Chem. Phys., 2008, 10, 5624
DOI: 10.1039/b804694h
Synthesis, characterization and computational study of nitrogen-doped CeO2 nanoparticles with visible-light activity
Changjie Mao, Yixin Zhao, Xiaofeng Qiu, Junjie Zhu and Clemens Burda,
Phys. Chem. Chem. Phys., 2008, 10, 5633
DOI: 10.1039/b805915b
Back cover
Phys. Chem. Chem. Phys., 2008, 10, 5639
DOI: 10.1039/b814575j
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