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High quality research in physical chemistry, chemical physics and biophysical chemistry.
Contents list for Physical Chemistry Chemical Physics, issue 18, 2005
Front cover
Phys. Chem. Chem. Phys., 2005, 7, 3245
DOI: 10.1039/b511677p
Contents
Phys. Chem. Chem. Phys., 2005, 7, 3247
DOI: 10.1039/b511679c
Communication
Probing segmental order in lipid bilayers at variable hydration levels by amplitude- and phase-modulated cross-polarization NMR
Sergey V. Dvinskikh, Vasco Castro and Dick Sandström,
Phys. Chem. Chem. Phys., 2005, 7, 3255
DOI: 10.1039/b508190d
Invited Article
Self-assembled monolayers of alkanethiols on Au(111): surface structures, defects and dynamics
C. Vericat, M. E. Vela and R. C. Salvarezza,
Phys. Chem. Chem. Phys., 2005, 7, 3258
DOI: 10.1039/b505903h
Papers
THEORETICAL STUDIES AND METHODS
Accelerated, energy-conserving Born–Oppenheimer molecular dynamics via Fock matrix extrapolation
John M. Herbert and Martin Head-Gordon,
Phys. Chem. Chem. Phys., 2005, 7, 3269
DOI: 10.1039/b509494a
Visualization of electron correlation in autoionizing states above the 3p threshold in magnesium
Arthur Reber, Christopher Gordon and R. Stephen Berry,
Phys. Chem. Chem. Phys., 2005, 7, 3276
DOI: 10.1039/b508158k
Modeling the electric field third-order nonlinear responses of an infinite aggregate of hexatriene chains using the electrostatic interaction model
Maxime Guillaume and Benoît Champagne,
Phys. Chem. Chem. Phys., 2005, 7, 3284
DOI: 10.1039/b507882m
Topological study of intramolecular hydrogen bonding in 
-hydroxyethylperoxy radical and -hydroxyethoxy radical along its dissociation pathway
Marcos Mandado, Ricardo A. Mosquera and Christian Van Alsenoy,
Phys. Chem. Chem. Phys., 2005, 7, 3290
DOI: 10.1039/b507300f
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
Florian Weigend and Reinhart Ahlrichs,
Phys. Chem. Chem. Phys., 2005, 7, 3297
DOI: 10.1039/b508541a
SPECTROSCOPY
The electronic spectrum of protonated adenine: Theory and experiment
Christel Marian, Dirk Nolting and Rainer Weinkauf,
Phys. Chem. Chem. Phys., 2005, 7, 3306
DOI: 10.1039/b507422c
Structure, dipole moment and large amplitude motions of 1-benzofuran
Assimo Maris, B. Michela Giuliano, Sonia Melandri, Paolo Ottaviani, Walther Caminati, Laura B. Favero and Biagio Velino,
Phys. Chem. Chem. Phys., 2005, 7, 3317
DOI: 10.1039/b507795h
KINETICS AND REACTION DYNAMICS
Vibrational relaxation dynamics of I35Cl(B, v
) induced by low-temperature collisions with He atoms
Joshua P. Darr and Richard A. Loomis,
Phys. Chem. Chem. Phys., 2005, 7, 3323
DOI: 10.1039/b508229c
LBGK method coupled to time splitting technique for solving reaction-diffusion processes in complex systems
Davide Alemani, Bastien Chopard, Josep Galceran and Jacques Buffle,
Phys. Chem. Chem. Phys., 2005, 7, 3331
DOI: 10.1039/b505890b
Pressure dependence for the CO quantum yield in the photolysis of acetone at 248 nm: A combined experimental and theoretical study
H. Somnitz, M. Fida, T. Ufer and R. Zellner,
Phys. Chem. Chem. Phys., 2005, 7, 3342
DOI: 10.1039/b506738c
SURFACES AND INTERFACES
Electric field induced electron transfer at the adsorbate–surface interface. Effect of the type of metal surface
Annapaola Migani, Carmen Sousa, Fausto Sanz and Francesc Illas,
Phys. Chem. Chem. Phys., 2005, 7, 3353
DOI: 10.1039/b505481h
BIOPHYSICAL CHEMISTRY
Low energy electron and O– reactions in films of O2 coadsorbed with benzene or toluene
Marjorie Imhoff, Luc Parenteau, Leon Sanche and Michael A. Huels,
Phys. Chem. Chem. Phys., 2005, 7, 3359
DOI: 10.1039/b506973d
Study of rare encounters in a membrane using quenching of cascade reaction between triplet and photochrome probes with nitroxide radicals
Nataly Medvedeva, Vladislav Papper and Gertz I. Likhtenshtein,
Phys. Chem. Chem. Phys., 2005, 7, 3368
DOI: 10.1039/b506135k
NANOSCIENCES
Self-assembled multilayers of gold nanoparticles: nitrate-induced rectification of quantized capacitance charging and effects of alkaline (earth) ions in aqueous solutions
Fengjun Deng and Shaowei Chen,
Phys. Chem. Chem. Phys., 2005, 7, 3375
DOI: 10.1039/b509691j
Back matter
Phys. Chem. Chem. Phys., 2005, 7, 3382
DOI: 10.1039/b511680p
Back cover
Phys. Chem. Chem. Phys., 2005, 7, 3383
DOI: 10.1039/b511681n
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