_tcm18-11426.gif )
High quality research in physical chemistry, chemical physics and biophysical chemistry.
Contents list for Physical Chemistry Chemical Physics, issue 35, 2008
Front cover
Phys. Chem. Chem. Phys., 2008, 10, 5321
DOI: 10.1039/b814106c
Contents and Chemical Science
Phys. Chem. Chem. Phys., 2008, 10, 5323
DOI: 10.1039/b814107j
Perspective
Structure and function of oxide nanostructures: catalytic consequences of size and composition
Josef Macht and Enrique Iglesia,
Phys. Chem. Chem. Phys., 2008, 10, 5331
DOI: 10.1039/b805251d
Communications
A ground-state-directed optimization scheme for the Kohn–Sham energy
Stinne Høst, Branislav Jansík, Jeppe Olsen, Poul Jørgensen, Simen Reine and Trygve Helgaker,
Phys. Chem. Chem. Phys., 2008, 10, 5344
DOI: 10.1039/b807639a
Spectroscopic evidence of thermally induced metamorphosis in ethenylene-bridged periodic mesoporous organosilicas
Carl Vercaemst, James T. A. Jones, Yaroslav Z. Khimyak, José C. Martins, Francis Verpoort and Pascal Van Der Voort,
Phys. Chem. Chem. Phys., 2008, 10, 5349
DOI: 10.1039/b808630n
Papers
Calculation of local excitations in large systems by embedding wave-function theory in density-functional theory
André Severo Pereira Gomes, Christoph R. Jacob and Lucas Visscher,
Phys. Chem. Chem. Phys., 2008, 10, 5353
DOI: 10.1039/b805739g
Theoretical study on oligothiophene N-succinimidyl esters: size and push–pull effects
M. Piacenza, M. Zambianchi, G. Barbarella, G. Gigli and F. Della Sala,
Phys. Chem. Chem. Phys., 2008, 10, 5363
DOI: 10.1039/b803963a
The intermolecular potentials of the O2–O2 dimer: a detailed ab initio study of the energy splittings for the three lowest multiplet states
Massimiliano Bartolomei, Marta I. Hernández, José Campos-Martínez, Estela Carmona-Novillo and Ramón Hernández-Lamoneda,
Phys. Chem. Chem. Phys., 2008, 10, 5374
DOI: 10.1039/b803555e
The o-, m-, and p-benzyne radical cations: a theoretical study
Hua Li and Ming-Bao Huang,
Phys. Chem. Chem. Phys., 2008, 10, 5381
DOI: 10.1039/b805938a
Quantum algorithm for obtaining the energy spectrum of molecular systems
Hefeng Wang, Sabre Kais, Alán Aspuru-Guzik and Mark R. Hoffmann,
Phys. Chem. Chem. Phys., 2008, 10, 5388
DOI: 10.1039/b804804e
Structure, spectrum and decomposition of the doubly charged ion C2N2++
M. Hochlaf and J. H. D. Eland,
Phys. Chem. Chem. Phys., 2008, 10, 5394
DOI: 10.1039/b807636g
Experimental and theoretical study of the electronic spectrum of BeAl
Jeremy M. Merritt, Vladimir E. Bondybey and Michael C. Heaven,
Phys. Chem. Chem. Phys., 2008, 10, 5403
DOI: 10.1039/b806879h
The observation of high order overtones and combinations in the SERRS spectra of a perylene dye spin coated onto silver island films
Joel C. Rubim and Ricardo F. Aroca,
Phys. Chem. Chem. Phys., 2008, 10, 5412
DOI: 10.1039/b804950e
Linewidths of C2H2 perturbed by H2: experiments and calculations from an ab initio potential
Franck Thibault, Benoît Corretja, Alexandra Viel, Dionisio Bermejo, Raúl Z. Martínez and Béatrice Bussery-Honvault,
Phys. Chem. Chem. Phys., 2008, 10, 5419
DOI: 10.1039/b804306j
Angular dependence of rotational and vibrational energies of product CO2 in CO oxidation on Pd(110)
Toshiro Yamanaka,
Phys. Chem. Chem. Phys., 2008, 10, 5429
DOI: 10.1039/b805218b
A multi-scale method for the calculation of charge transfer rates through the 
-stack of DNA: application to DNA dynamics
David 
eha, William Barford and Sarah Harris,
Phys. Chem. Chem. Phys., 2008, 10, 5436
DOI: 10.1039/b719619a
Hydrogen dissociative chemisorption and desorption on saturated subnano palladium clusters (Pdn, n = 2–9)
Chenggang Zhou, Shujuan Yao, Jinping Wu, Robert C. Forrey, Liang Chen, Akitomo Tachibana and Hansong Cheng,
Phys. Chem. Chem. Phys., 2008, 10, 5445
DOI: 10.1039/b804877k
Freeze–thaw behaviour of aqueous glucose solutions—the crystallisation of cubic ice
Pariya Thanatuksorn, Kazuhito Kajiwara, Norio Murase and Felix Franks,
Phys. Chem. Chem. Phys., 2008, 10, 5452
DOI: 10.1039/b802042f
A theoretical study of conformational aspects and energy transfer between terthiophene and quinquethiophene in perhydrotriphenylene inclusion compounds
Sergio O. Vásquez,
Phys. Chem. Chem. Phys., 2008, 10, 5459
DOI: 10.1039/b805084h
A kinetic model for photoswitching of magnetism in the high spin molecule [Mo(IV)(CN)2(CN–Cu(II)(tren))6](ClO4)8
Rajamani Raghunathan, S. Ramasesha, Corine Mathonière and Valérie Marvaud,
Phys. Chem. Chem. Phys., 2008, 10, 5469
DOI: 10.1039/b803395a
Back cover
Phys. Chem. Chem. Phys., 2008, 10, 5475
DOI: 10.1039/b814108h
RSS feed