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High quality research in physical chemistry, chemical physics and biophysical chemistry.
Contents list for Physical Chemistry Chemical Physics, issue 37, 2008
Front cover
Phys. Chem. Chem. Phys., 2008, 10, 5641
DOI: 10.1039/b815030n
Inside front cover
Phys. Chem. Chem. Phys., 2008, 10, 5642
DOI: 10.1039/b815031c
Contents
Phys. Chem. Chem. Phys., 2008, 10, 5643
DOI: 10.1039/b815032j
Perspective
Free energies for biological electron transfer from QM/MM calculation: method, application and critical assessment
Jochen Blumberger,
Phys. Chem. Chem. Phys., 2008, 10, 5651
DOI: 10.1039/b807444e
Papers
Enhanced surface photochemistry in chloride–nitrate ion mixtures
Lisa M. Wingen, Amy C. Moskun, Stanley N. Johnson, Jennie L. Thomas, Martina Roeselová, Douglas J. Tobias, Michael T. Kleinman and Barbara J. Finlayson-Pitts,
Phys. Chem. Chem. Phys., 2008, 10, 5668
DOI: 10.1039/b806613b
Lattice Boltzmann simulations for proton transport in 2-D model channels of Nafion
Yoshinobu Akinaga, Shi-aki Hyodo and Tamio Ikeshoji,
Phys. Chem. Chem. Phys., 2008, 10, 5678
DOI: 10.1039/b805107k
Electronic splitting in the excited states of DNA base homodimers and -trimers: an evaluation of short-range and Coulombic interactions
Dana Nachtigallová, Pavel Hobza and Hans-Hermann Ritze,
Phys. Chem. Chem. Phys., 2008, 10, 5689
DOI: 10.1039/b806323k
Two-particle density matrix cumulant of coupled cluster theory
Tatiana Korona,
Phys. Chem. Chem. Phys., 2008, 10, 5698
DOI: 10.1039/b804513e
Spin–orbit configuration interaction study of the ultraviolet photofragmentation of XeH+
Aleksey B. Alekseyev, Heinz-Peter Liebermann and Robert J. Buenker,
Phys. Chem. Chem. Phys., 2008, 10, 5706
DOI: 10.1039/b807078d
A temperature dependence kinetic study of O(1D) + CH4: overall rate coefficient and product yields
Stijn Vranckx, Jozef Peeters and Shaun Carl,
Phys. Chem. Chem. Phys., 2008, 10, 5714
DOI: 10.1039/b804903c
Anharmonicity in a fragile glass-former probed by inelastic neutron scattering
M. Plazanet and H. Schober,
Phys. Chem. Chem. Phys., 2008, 10, 5723
DOI: 10.1039/b806143b
Density functional studies of model cerium oxide nanoparticles
Christoph Loschen, Annapaola Migani, Stefan T. Bromley, Francesc Illas and Konstantin M. Neyman,
Phys. Chem. Chem. Phys., 2008, 10, 5730
DOI: 10.1039/b805904g
Conformational flexibility of metalloporphyrins studied by density-functional calculations
Thorsten Wölfle, Andreas Görling and Wolfgang Hieringer,
Phys. Chem. Chem. Phys., 2008, 10, 5739
DOI: 10.1039/b800566b
Molecular adsorption of H2 on small cationic nickel clusters
Ingmar Swart, Philipp Gruene, André Fielicke, Gerard Meijer, Bert M. Weckhuysen and Frank M. F. de Groot,
Phys. Chem. Chem. Phys., 2008, 10, 5743
DOI: 10.1039/b807313a
A new look at reactions of 2-butoxy and 1-butoxy radicals in the presence of oxygen
Françoise Caralp, Wendell Forst and Astrid Bergeat,
Phys. Chem. Chem. Phys., 2008, 10, 5746
DOI: 10.1039/b806591h
Structure and NMR assignment in calcined and as-synthesized forms of AlPO-14: a combined study by first-principles calculations and high-resolution 27Al–31P MAS NMR correlation
Sharon E. Ashbrook, Marica Cutajar, Chris J. Pickard, Richard I. Walton and Stephen Wimperis,
Phys. Chem. Chem. Phys., 2008, 10, 5754
DOI: 10.1039/b805681a
Aqueous solutions of ionic liquids: study of the solution/vapor interface using molecular dynamics simulations
Jan Picálek, Babak Minofar, Ji
í Kolafa and Pavel Jungwirth,
Phys. Chem. Chem. Phys., 2008, 10, 5765
DOI: 10.1039/b806205f
Theoretical study of the dynamics of hyperthermal collisions of Ar with a fluorinated alkanethiolate self-assembled monolayer
Uro
Tasi
and Diego Troya,
Phys. Chem. Chem. Phys., 2008, 10, 5776
DOI: 10.1039/b808011a
Back cover
Phys. Chem. Chem. Phys., 2008, 10, 5787
DOI: 10.1039/b815033h
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