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Physical Chemistry Chemical Physics

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Contents list for Physical Chemistry Chemical Physics, issue 33, 2008

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Front cover
Phys. Chem. Chem. Phys., 2008, 10, 5017
DOI: 10.1039/b813299m

front cover image for Physical Chemistry Chemical Physics, Issue 33, 2008


Inside front cover
Phys. Chem. Chem. Phys., 2008, 10, 5018
DOI: 10.1039/b813300j

Contents
Phys. Chem. Chem. Phys., 2008, 10, 5019
DOI: 10.1039/b813301h

Perspective

Mechanistic aspects of ligand exchange in Au nanoparticles
A. Caragheorgheopol and V. Chechik,  Phys. Chem. Chem. Phys., 2008, 10, 5029
DOI: 10.1039/b805551c

Communications

Structural changes of poly-L-lysine in solution and lyophilized form
Ohki Kambara, Atsuo Tamura, Akira Naito and Keisuke Tominaga,  Phys. Chem. Chem. Phys., 2008, 10, 5042
DOI: 10.1039/b807385f

Three dimensional atom–diatom quantum reactive scattering calculations using absorbing potential: speed up of the propagation scheme
T. Stoecklin,  Phys. Chem. Chem. Phys., 2008, 10, 5045
DOI: 10.1039/b807238h

Papers

Solvent screening for a hard-to-dissolve molecular crystal
A. Maiti, P. F. Pagoria, A. E. Gash, T. Y. Han, C. A. Orme, R. H. Gee and L. E. Fried,  Phys. Chem. Chem. Phys., 2008, 10, 5050
DOI: 10.1039/b805169k

Oxidation investigation of nickel nanoparticles
Pengxiang Song, Dongsheng Wen, Z. X. Guo and Theodosios Korakianitis,  Phys. Chem. Chem. Phys., 2008, 10, 5057
DOI: 10.1039/b800672e

In situ atomic force microscopy of zeolite A dissolution
L. Itzel Meza, Michael W. Anderson, Ben Slater and Jonathan R. Agger,  Phys. Chem. Chem. Phys., 2008, 10, 5066
DOI: 10.1039/b804857f

The electronic structure evolution of DNA during its conformation transition process
Chen Song, Yueyuan Xia, Mingwen Zhao, Xiangdong Liu, Jiling Li and Lijuan Li,  Phys. Chem. Chem. Phys., 2008, 10, 5077
DOI: 10.1039/b804309d

Elucidation of the natural artemisinin decomposition route upon iron interaction: a fine electronic redistribution promotes reactivity
Wichit Nosoongnoen, Jaturong Pratuangdejkul, Korbtham Sathirakul, Alexandre Jacob, Marc Conti, Sylvain Loric, Jean-Marie Launay and Philippe Manivet,  Phys. Chem. Chem. Phys., 2008, 10, 5083
DOI: 10.1039/b804516j

Mechanism of Li-insertion into spinel-structured Li0.5TiO2
Marina V. Koudriachova,  Phys. Chem. Chem. Phys., 2008, 10, 5094
DOI: 10.1039/b802421a

Diffusion in mesoporous materials and polymers swelling: a transient calorimetric approach
Jean-Marie Nedelec, Jean Pierre E. Grolier and Mohamed Baba,  Phys. Chem. Chem. Phys., 2008, 10, 5099
DOI: 10.1039/b805992f

Theoretical study of the interaction between HNZ (Z = O, S) and H2XNH2 (X = B, Al). Conventional and dihydrogen bonds
Nguyen Tien Trung, Tran Thanh Hue, Minh Tho Nguyen and Thérèse Zeegers-Huyskens,  Phys. Chem. Chem. Phys., 2008, 10, 5105
DOI: 10.1039/b806346j

Estimation of ternary liquid–liquid equilibria for arene/alkane/ionic liquid mixtures using neural networks
José S. Torrecilla, Maggel Deetlefs, Kenneth R. Seddon and Francisco Rodríguez,  Phys. Chem. Chem. Phys., 2008, 10, 5114
DOI: 10.1039/b719533h

DFT/TD-DFT molecular design of porphyrin analogues for use in dye-sensitized solar cells
Mannix P. Balanay and Dong Hee Kim,  Phys. Chem. Chem. Phys., 2008, 10, 5121
DOI: 10.1039/b806097e

Choosing a proper complete active space in calculations for transition metal dimers: ground state of Mn2 revisited
Cristopher Camacho, Shigeyoshi Yamamoto and Henryk A. Witek,  Phys. Chem. Chem. Phys., 2008, 10, 5128
DOI: 10.1039/b805125a

Competition of electron transfer, dissociation, and bond-forming processes in the reaction of the CO22+ dication with neutral CO2
Claire L. Ricketts, Detlef Schröder, Jana Roithová, Helmut Schwarz, Roland Thissen, Odile Dutuit, Jan abka, Zdenek Herman and Stephen D. Price,  Phys. Chem. Chem. Phys., 2008, 10, 5135
DOI: 10.1039/b800865e

Covalent bond orders revisited: the open-shell case
Diego R. Alcoba, Roberto C. Bochicchio, Luis Lain and Alicia Torre,  Phys. Chem. Chem. Phys., 2008, 10, 5144
DOI: 10.1039/b806268d

Ion-mediated interactions between charged and neutral nanoparticles
V. Dahirel, M. Jardat, J. F. Dufrêche and P. Turq,  Phys. Chem. Chem. Phys., 2008, 10, 5147
DOI: 10.1039/b806315j

Comments

Comment: Electron-transfer reactions in the 9-mesityl-10-methylacridinium ion: impurities, triplet states and infinitely long-lived charge-shift states?
Andrew C. Benniston, Anthony Harriman and Jan W. Verhoeven,  Phys. Chem. Chem. Phys., 2008, 10, 5156
DOI: 10.1039/b807893a

Response: Why had long-lived electron-transfer states of donor-substituted 10-methylacridinium ions been overlooked? Formation of the dimer radical cations detected in the near-IR region
Shunichi Fukuzumi, Hiroaki Kotani and Kei Ohkubo,  Phys. Chem. Chem. Phys., 2008, 10, 5159
DOI: 10.1039/b809264h

Back cover
Phys. Chem. Chem. Phys., 2008, 10, 5163
DOI: 10.1039/b813302f