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Physical Chemistry Chemical Physics

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Contents list for Physical Chemistry Chemical Physics, issue 44, 2006

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Front cover
Phys. Chem. Chem. Phys., 2006, 8, 5141
DOI: 10.1039/b615512j

front cover image for Physical Chemistry Chemical Physics, Issue 44, 2006


Inside front cover
Phys. Chem. Chem. Phys., 2006, 8, 5142
DOI: 10.1039/b615513h

Contents
Phys. Chem. Chem. Phys., 2006, 8, 5143
DOI: 10.1039/b615514f

Invited Articles

Probing the intrinsic features and environmental stabilization of multiply charged anions
William E. Boxford and Caroline E. H. Dessent,  Phys. Chem. Chem. Phys., 2006, 8, 5151
DOI: 10.1039/b609123g

Molecular mechanics methods for predicting protein–ligand binding
Niu Huang, Chakrapani Kalyanaraman, Katarzyna Bernacki and Matthew P. Jacobson,  Phys. Chem. Chem. Phys., 2006, 8, 5166
DOI: 10.1039/b608269f

Communications

Extension of molecular electronic structure methods to the solid state: computation of the cohesive energy of lithium hydride
F. R. Manby, D. Alfè and M. J. Gillan,  Phys. Chem. Chem. Phys., 2006, 8, 5178
DOI: 10.1039/b613676a

Catalytic homogeneous hydrogenation of compounds containing X O semipolar bonds (X = N, S, P) with para-hydrogen as a promising route for preparation of para-water
Yuri A. Ustynyuk, Alexei V. Gavrikov and Nikolay M. Sergeyev,  Phys. Chem. Chem. Phys., 2006, 8, 5181
DOI: 10.1039/b610125a

Papers

Laser induced fluorescence studies of iodine oxide chemistry
Part II. The reactions of IO with CH3O2, CF3O2 and O3

Terry J. Dillon, María E. Tucceri and John N. Crowley,  Phys. Chem. Chem. Phys., 2006, 8, 5185
DOI: 10.1039/b611116e

VUV photon induced fluorescence study of SF5CF3
Jesus Alvarez Ruiz, Antti Kivimäki, Marek Stankiewicz, Emilio Melero García, Marcello Coreno, Sahangir Ali, Jaroslaw Koperski, Elisabeth Rachlew, Gemma Vall-llosera i Serrano, Vitaliy Feyer and Richard Tuckett,  Phys. Chem. Chem. Phys., 2006, 8, 5199
DOI: 10.1039/b609314k

A computational modelling study of oxygen vacancies at LaCoO3 perovskite surfaces
S. Khan, R. J. Oldman, F. Corà, C. R. A. Catlow, S. A. French and S. A. Axon,  Phys. Chem. Chem. Phys., 2006, 8, 5207
DOI: 10.1039/b602753a

An NMR strategy for obtaining multiple conformational constraints for 15N–13C spin-pair labelled organic solids
Jillian Madine and David A. Middleton,  Phys. Chem. Chem. Phys., 2006, 8, 5223
DOI: 10.1039/b610014g

A femtosecond time-resolved investigation of dual fluorescence from N6,N6-dimethyladenine
Nina K. Schwalb and Friedrich Temps,  Phys. Chem. Chem. Phys., 2006, 8, 5229
DOI: 10.1039/b610003a

The atmospheric photolysis of E-2-hexenal, Z-3-hexenal and E,E-2,4-hexadienal
Margaret P. OConnor, John C. Wenger, Abdelwahid Mellouki, Klaus Wirtz and Amalia Muñoz,  Phys. Chem. Chem. Phys., 2006, 8, 5236
DOI: 10.1039/b611344c

Excited state dynamics and fragmentation channels of the protonated dipeptide H2N-Leu-Trp-COOH
Dirk Nolting, Thomas Schultz, I. V. Hertel and Rainer Weinkauf,  Phys. Chem. Chem. Phys., 2006, 8, 5247
DOI: 10.1039/b609726j

Back cover
Phys. Chem. Chem. Phys., 2006, 8, 5255
DOI: 10.1039/b615515b