PCCP Invited Articles

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An international journal for the fastest publication of high-quality original work in physical chemistry, chemical physics and biophysical chemistry.

PCCP Invited Articles Archive

Invited Articles were commissioned by the PCCP Editorial Board, and were high profile articles of interest to a broad spectrum of research workers within the areas of physical chemistry and chemical physics. Whilst recognizing the wide readership of PCCP, authors were encouraged to present an authoritative state-of-the-art account of the selected research field. PCCP Invited Articles were replaced in May 2007 by the PCCP Perspective.

Published 2006

A family of intracules, a conjecture and the electron correlation problem
Peter M. W. Gill, Deborah L. Crittenden, Darragh P. ONeill and Nicholas A. Besley,�Phys. Chem. Chem. Phys., 2006, 8, 15
DOI: 10.1039/b511472a

Imaging the dynamics of gas phase reactions
Michael N. R. Ashfold, N. Hendrik Nahler, Andrew J. Orr-Ewing, Olivier P. J. Vieuxmaire, Rachel L. Toomes, Theofanis N. Kitsopoulos, Ivan Anton Garcia, Dmitri A. Chestakov, Shiou-Min Wu and David H. Parker,�Phys. Chem. Chem. Phys., 2006, 8, 26
DOI: 10.1039/b509304j

Multiple channel dynamics in the O(¹D) reaction with alkanes
Xueming Yang,�Phys. Chem. Chem. Phys., 2006, 8, 205
DOI: 10.1039/b511052c

New insights on reaction dynamics from formaldehyde photodissociation
Joel M Bowman and Xiubin Zhang,�Phys. Chem. Chem. Phys., 2006, 8, 321
DOI: 10.1039/b512847c

Oxygen-deficient perovskites: linking structure, energetics and ion transport
Svein St�len, Egil Bakken and Chris E. Mohn,�Phys. Chem. Chem. Phys., 2006, 8, 429
DOI: 10.1039/b512271f

Diffusion coefficients as a monitor of reaction kinetics of biological molecules
Masahide Terazima,�Phys. Chem. Chem. Phys., 2006, 8, 545
DOI: 10.1039/b513509e

Quantum chemical simulation of excited states of chlorophylls, bacteriochlorophylls and their complexes
Juha Linnanto and Jouko Korppi-Tommola,�Phys. Chem. Chem. Phys., 2006, 8, 663
DOI: 10.1039/b513086g

Energy transfer in photosynthesis: experimental insights and quantitative models
Rienk van Grondelle and Vladimir I. Novoderezhkin,�Phys. Chem. Chem. Phys., 2006, 8, 793
DOI: 10.1039/b514032c

Quantum reactive scattering of H + hydrocarbon reactions
Bouthe�na Kerkeni and David C. Clary,�Phys. Chem. Chem. Phys., 2006, 8, 917
DOI: 10.1039/b514563p

Probing the competition between secondary structures and local preferences in gas phase isolated peptide backbones
Wutharath Chin, Fran�ois Piuzzi, Iliana Dimicoli and Michel Mons,�Phys. Chem. Chem. Phys., 2006, 8, 1033
DOI: 10.1039/b516245a

Predictive theory for the combination kinetics of two alkyl radicals
Stephen J. Klippenstein, Yuri Georgievskii and Lawrence B. Harding,�Phys. Chem. Chem. Phys., 2006, 8, 1133
DOI: 10.1039/b515914h

Pressure perturbation calorimetric studies of the solvation properties and the thermal unfolding of proteins in solution�experiments and theoretical interpretation
Lally Mitra, Nikolai Smolin, Revanur Ravindra, Catherine Royer and Roland Winter,�Phys. Chem. Chem. Phys., 2006, 8, 1249
DOI: 10.1039/b516608j

Computational studies of molecular hydrogen binding affinities: The role of dispersion forces, electrostatics, and orbital interactions
Rohini C. Lochan and Martin Head-Gordon,�Phys. Chem. Chem. Phys., 2006, 8, 1357
DOI: 10.1039/b515409j

A unified view of the theoretical description of magnetic coupling in molecular chemistry and solid state physics
Ib�rio de P. R. Moreira and Francesc Illas,�Phys. Chem. Chem. Phys., 2006, 8, 1645
DOI: 10.1039/b515732c

Plasma�surface interaction in the context of ITER
A. W. Kleyn, N. J. Lopes Cardozo and U. Samm,�Phys. Chem. Chem. Phys., 2006, 8, 1761
DOI: 10.1039/b514367e

Modifying the liquid/liquid interface: pores, particles and deposition
Robert A. W. Dryfe,�Phys. Chem. Chem. Phys., 2006, 8, 1869
DOI: 10.1039/b518018j

Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs
Petr Jureka, Ji� poner, Ji� ern� and Pavel Hobza,�Phys. Chem. Chem. Phys., 2006, 8, 1985
DOI: 10.1039/b600027d

Air and water stable ionic liquids in physical chemistry
Frank Endres and Sherif Zein El Abedin,�Phys. Chem. Chem. Phys., 2006, 8, 2101
DOI: 10.1039/b600519p

Intermolecular electrostatic interactions and Brownian tumbling in protein solutions
Alexey Krushelnitsky,�Phys. Chem. Chem. Phys., 2006, 8, 2117
DOI: 10.1039/b517448a

New electronic and magnetic properties emerging from adsorption of organized organic layers
Ron Naaman and Zeev Vager,�Phys. Chem. Chem. Phys., 2006, 8, 2217
DOI: 10.1039/b518103h

High field ENDOR as a characterization tool for functional sites in microporous materials
Daniella Goldfarb,�Phys. Chem. Chem. Phys., 2006, 8, 2325
DOI: 10.1039/b601513c

Physico-chemical processes in imidazolium ionic liquids
Jairton Dupont and Paulo A. Z. Suarez,�Phys. Chem. Chem. Phys., 2006, 8, 2441
DOI: 10.1039/b602046a

Reexamination of ionospheric chemistry: high temperature kinetics, internal energy dependences, unusual isomers, and corrections
A. A. Viggiano,�Phys. Chem. Chem. Phys., 2006, 8, 2557
DOI: 10.1039/b603585j

Electron transport and redox reactions in carbon-based molecular electronic junctions
Richard L. McCreery, Jing Wu and Rajendra Prasad Kalakodimi,�Phys. Chem. Chem. Phys., 2006, 8, 2572
DOI: 10.1039/b601163m

Molecular beams with a tunable velocity
Cynthia E. Heiner, Hendrick L. Bethlem and Gerard Meijer,�Phys. Chem. Chem. Phys., 2006, 8, 2666
DOI: 10.1039/b602260j

Selective catalytic reduction of NO over supported silver catalysts�practical and mechanistic aspects
Ken-ichi Shimizu and Atsushi Satsuma,�Phys. Chem. Chem. Phys., 2006, 8, 2677
DOI: 10.1039/b601794k

Plasma electrochemistry: potential measured at boron doped diamond and platinum in gaseous electrolyte
E. Hadzifejzovic, J. A. Sanchez Galiani and D. J. Caruana,�Phys. Chem. Chem. Phys., 2006, 8, 2797
DOI: 10.1039/b600115g

The relation between high-density and very-high-density amorphous ice
Thomas Loerting, Christoph G. Salzmann, Katrin Winkel and Erwin Mayer,�Phys. Chem. Chem. Phys., 2006, 8, 2810
DOI: 10.1039/b603159e

Brilliant opportunities across the spectrum
John Evans,�Phys. Chem. Chem. Phys., 2006, 8, 3045
DOI: 10.1039/b604369k

Looking at long molecules in solution: what happens when they are subjected to Couette flow?
Alison Rodger, Rachel Marrington, Michael A. Geeves, Matthew Hicks, Lahari de Alwis, David J. Halsall and Timothy R. Dafforn,�Phys. Chem. Chem. Phys., 2006, 8, 3161
DOI: 10.1039/b604810m

Advances in methods and algorithms in a modern quantum chemistry program package
Yihan Shao, Laszlo Fusti Molnar, Yousung Jung, J�rg Kussmann, Christian Ochsenfeld, Shawn T. Brown, Andrew T.B. Gilbert, Lyudmila V. Slipchenko, Sergey V. Levchenko, Darragh P. ONeill, Robert A. DiStasio Jr, Rohini C. Lochan, Tao Wang, Gregory J.O. Beran, Nicholas A. Besley, John M. Herbert, Ching Yeh Lin, Troy Van Voorhis, Siu Hung Chien, Alex Sodt, Ryan P. Steele, Vitaly A. Rassolov, Paul E. Maslen, Prakashan P. Korambath, Ross D. Adamson, Brian Austin, Jon Baker, Edward F. C. Byrd, Holger Dachsel, Robert J. Doerksen, Andreas Dreuw, Barry D. Dunietz, Anthony D. Dutoi, Thomas R. Furlani, Steven R. Gwaltney, Andreas Heyden, So Hirata, Chao-Ping Hsu, Gary Kedziora, Rustam Z. Khalliulin, Phil Klunzinger, Aaron M. Lee, Michael S. Lee, WanZhen Liang, Itay Lotan, Nikhil Nair, Baron Peters, Emil I. Proynov, Piotr A. Pieniazek, Young Min Rhee, Jim Ritchie, Edina Rosta, C. David Sherrill, Andrew C. Simmonett, Joseph E. Subotnik, H. Lee Woodcock III, Weimin Zhang, Alexis T. Bell and Arup K. Chakraborty,�Phys. Chem. Chem. Phys., 2006, 8, 3172
DOI: 10.1039/b517914a

Oriented attachment and mesocrystals: Non-classical crystallization mechanisms based on nanoparticle assembly
Markus Niederberger and Helmut C�lfen,�Phys. Chem. Chem. Phys., 2006, 8, 3271
DOI: 10.1039/b604589h

Directing the self-assembly of nanocrystals beyond colloidal crystallization
Hao Zhang, Erik W. Edwards, Dayang Wang and Helmuth M�hwald,�Phys. Chem. Chem. Phys., 2006, 8, 3288
DOI: 10.1039/b604745a

Absorption and scattering microscopy of single metal nanoparticles
M. A. van Dijk, A. L. Tchebotareva, M. Orrit, M. Lippitz, S. Berciaud, D. Lasne, L. Cognet and B. Lounis,�Phys. Chem. Chem. Phys., 2006, 8, 3486
DOI: 10.1039/b606090k

Sonochemical nanosynthesis at the engineered interface of a cavitation microbubble
Dmitry G. Shchukin and Helmuth M�hwald,�Phys. Chem. Chem. Phys., 2006, 8, 3496
DOI: 10.1039/b606104d

Theory for non-equilibrium statistical mechanics
Phil Attard,�Phys. Chem. Chem. Phys., 2006, 8, 3585
DOI: 10.1039/b604284h

Self-association of block copoly(oxyalkylene)s in aqueous solution. Effects of composition, block length and block architecture
Colin Booth, David Attwood and Colin Price,�Phys. Chem. Chem. Phys., 2006, 8, 3612
DOI: 10.1039/b605367j

Molecular mechanisms of cellular mechanics
Mu Gao, Marcos Sotomayor, Elizabeth Villa, Eric H. Lee and Klaus Schulten,�Phys. Chem. Chem. Phys., 2006, 8, 3692
DOI: 10.1039/b606019f

Surface grafted polymer brushes as ideal building blocks for smart surfaces
Feng Zhou and Wilhelm T. S. Huck,�Phys. Chem. Chem. Phys., 2006, 8, 3815
DOI: 10.1039/b606415a

Functional polymers: scanning force microscopy insights
Paolo Samor�, Mathieu Surin, Vincenzo Palermo, Roberto Lazzaroni and Philippe Lecl�re,�Phys. Chem. Chem. Phys., 2006, 8, 3927
DOI: 10.1039/b607502a

On determining the nuclearity of iron sites in Fe-ZSM-5�a critical evaluation
Gerhard D. Pirngruber, Pijus K. Roy and R. Prins,�Phys. Chem. Chem. Phys., 2006, 8, 3939
DOI: 10.1039/b606205a

Quantitative measurement and interpretation of optical second harmonic generation from molecular interfaces
Wen-kai Zhang, Hong-fei Wang and De-sheng Zheng,�Phys. Chem. Chem. Phys., 2006, 8, 4041
DOI: 10.1039/b608005g

Protein-bound chromophores astaxanthin and phytochromobilin: excited state quantum chemical studies
Bo Durbeej and Leif A. Eriksson,�Phys. Chem. Chem. Phys., 2006, 8, 4053
DOI: 10.1039/b605682b

Large molecular aggregates: from atmospheric aerosols to drug nanoparticles
George Firanescu, Dana Hermsdorf, Roman Ueberschaer and Ruth Signorell,�Phys. Chem. Chem. Phys., 2006, 8, 4149
DOI: 10.1039/b608433h

Application of ionic liquids to the electrodeposition of metals
Andrew P. Abbott and Katy J. McKenzie,�Phys. Chem. Chem. Phys., 2006, 8, 4265
DOI: 10.1039/b607329h

Optical detection of singlet oxygen from single cells
John W. Snyder, Esben Skovsen, John D. C. Lambert, Lars Poulsen and Peter R. Ogilby,�Phys. Chem. Chem. Phys., 2006, 8, 4280
DOI: 10.1039/b609070m

Unravelling single metalloprotein electron transfer by scanning probe techniques
Andrea Alessandrini, Stefano Corni and Paolo Facci,�Phys. Chem. Chem. Phys., 2006, 8, 4383
DOI: 10.1039/b607021c

Probing actinide electronic structure using fluorescence and multi-photon ionization spectroscopy
Michael C. Heaven,�Phys. Chem. Chem. Phys., 2006, 8, 4497
DOI: 10.1039/b607486c

Computational studies of enzyme mechanism: linking theory with experiment in the analysis of enzymic H-tunnelling
Michael J. Sutcliffe and Nigel S. Scrutton,�Phys. Chem. Chem. Phys., 2006, 8, 4510
DOI: 10.1039/b609622k

Toward an integrated computational approach to CW-ESR spectra of free radicals
Vincenzo Barone and Antonino Polimeno,�Phys. Chem. Chem. Phys., 2006, 8, 4609
DOI: 10.1039/b607998a

Energy partitioning schemes
I. Mayer,�Phys. Chem. Chem. Phys., 2006, 8, 4630
DOI: 10.1039/b608822h

Using spin polarised positive muons for studying guest molecule partitioning in soft matter structures
A. Martyniak, H. Dilger, R. Scheuermann, I. M. Tucker, I. McKenzie, D. Vujosevic and E. Roduner,�Phys. Chem. Chem. Phys., 2006, 8, 4723
DOI: 10.1039/b610414b

Development of the charge-transfer-to-solvent process with increasing solvent fluid density: the effect of ion pairing
Germ�n Sciaini, Ernesto Marceca and Roberto Fern�ndez-Prini,�Phys. Chem. Chem. Phys., 2006, 8, 4839
DOI: 10.1039/b608600b

Optical properties of single semiconductor nanocrystals
Daniel E. G�mez, Marco Califano and Paul Mulvaney,�Phys. Chem. Chem. Phys., 2006, 8, 4989
DOI: 10.1039/b607661k

Ordered 2-D and 3-D nanostructured amphiphile self-assembly materials stable in excess solvent
Thomas Kaasgaard and Calum J. Drummond,�Phys. Chem. Chem. Phys., 2006, 8, 4957
DOI: 10.1039/b609510k

Biosensing with conically shaped nanopores and nanotubes
Youngseon Choi, Lane A. Baker, Heather Hillebrenner and Charles R. Martin,�Phys. Chem. Chem. Phys., 2006, 8, 4976
DOI: 10.1039/b607360c

Internal structure of polyelectrolyte multilayer assemblies
Regine v. Klitzing,�Phys. Chem. Chem. Phys., 2006, 8, 5012
DOI: 10.1039/b607760a

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

Interaction of proteins with linear polyelectrolytes and spherical polyelectrolyte brushes in aqueous solution
A. Wittemann and M. Ballauff,�Phys. Chem. Chem. Phys., 2006, 8, 5269
DOI: 10.1039/b609879g

Calculations of solute and solvent entropies from molecular dynamics simulations
Jens Carlsson and Johan �qvist,�Phys. Chem. Chem. Phys., 2006, 8, 5385
DOI: 10.1039/b608486a

Molecular simulation studies of water physisorption in zeolites
Angela Di Lella, Nicolas Desbiens, Anne Boutin, Isabelle Demachy, Philippe Ungerer, Jean-Pierre Bellat and Alain H. Fuchs,�Phys. Chem. Chem. Phys., 2006, 8, 5396
DOI: 10.1039/b610621h

Gold catalysts for pure hydrogen production in the water�gas shift reaction: activity, structure and reaction mechanism
Robbie Burch,�Phys. Chem. Chem. Phys., 2006, 8, 5483
DOI: 10.1039/b607837k

Short-range interactions between non-ionic surfactant layers
Per M. Claesson, Mikael Kjellin, Orlando J. Rojas and Cosima Stubenrauch,�Phys. Chem. Chem. Phys., 2006, 8, 5501
DOI: 10.1039/b610295f

Atomic polarization in the photodissociation of diatomic molecules
A. P. Clark, M. Brouard, F. Quadrini and C. Vallance,�Phys. Chem. Chem. Phys., 2006, 8, 5591
DOI: 10.1039/b612590e

Modeling heme proteins using atomistic simulations
Dami�n E. Bikiel, Leonardo Boechi, Luciana Capece, Alejandro Crespo, Pablo M. De Biase, Santiago Di Lella, Mariano C. Gonz�lez Lebrero, Marcelo A. Mart�, Alejandro D. Nadra, Laura L. Perissinotti, Dami�n A. Scherlis and Dar�o A. Estrin,�Phys. Chem. Chem. Phys., 2006, 8, 5611
DOI: 10.1039/b611741b

Published 2005

High-field EPR spectroscopy applied to biological systems: characterization of molecular switches for electron and ion transfer
K. M�bius, A. Savitsky, A. Schnegg, M. Plato and M. Fuchs,�Phys. Chem. Chem. Phys., 2005, 7, 19
DOI: 10.1039/b412180e

Probing the transition state with negative ion photodetachment: experiment and theory
Daniel M. Neumark,�Phys. Chem. Chem. Phys., 2005, 7, 433
DOI: 10.1039/b417886f

Friction force microscopy: towards quantitative analysis of molecular organisation with nanometre spatial resolution
Graham J. Leggett, Nicholas J. Brewer and Karen S. L. Chong,�Phys. Chem. Chem. Phys., 2005, 7, 1107
DOI: 10.1039/b417136p

Self-assembly in green solvents
Julian Eastoe and Sarah Gold,�Phys. Chem. Chem. Phys., 2005, 7, 1352
DOI: 10.1039/b418985j

Probing the acid sites in confined spaces of microporous materials by vibrational spectroscopy
Adriano Zecchina, Giuseppe Spoto and Silvia Bordiga,�Phys. Chem. Chem. Phys., 2005, 7, 1627
DOI: 10.1039/b418763f

Ion exchange at the electrode/electrolyte interface studied by probe beam deflection techniques
C�sar A. Barbero,�Phys. Chem. Chem. Phys., 2005, 7, 1885
DOI: 10.1039/b419382b

Conical intersections: A perspective on the computation of spectroscopic Jahn�Teller parameters and the degenerate intersection space
Martin J. Paterson, Michael J. Bearpark, Michael A. Robb, Llu�s Blancafort and Graham A. Worth,�Phys. Chem. Chem. Phys., 2005, 7, 2100
DOI: 10.1039/b416538a

The scanned nanopipette: a new tool for high resolution bioimaging and controlled deposition of biomolecules
Liming Ying, Andreas Bruckbauer, Dejian Zhou, Julia Gorelik, Andrew Shevchuk, Max Lab, Yuri Korchev and David Klenerman,�Phys. Chem. Chem. Phys., 2005, 7, 2859
DOI: 10.1039/b506743j

Exchange methods in Kohn�Sham theory
Andrew M. Teale and David J. Tozer,�Phys. Chem. Chem. Phys., 2005, 7, 2991
DOI: 10.1039/b506082f

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

Organic surfaces excited by low-energy ions: atomic collisions, molecular desorption and buckminsterfullerenes
Arnaud Delcorte,�Phys. Chem. Chem. Phys., 2005, 7, 3395
DOI: 10.1039/b509238h

In situ spectroscopic investigation of heterogeneous catalysts and reaction media at high pressure
Jan-Dierk Grunwaldt and Alfons Baiker,�Phys. Chem. Chem. Phys., 2005, 7, 3526
DOI: 10.1039/b509667g

Molecular structure calculations without clamping the nuclei
Brian T. Sutcliffe and R. Guy Woolley,�Phys. Chem. Chem. Phys., 2005, 7, 3664
DOI: 10.1039/b509723c

Computer simulation of polypeptide adsorption on model biomaterials
Fabio Ganazzoli and Giuseppina Raffaini,�Phys. Chem. Chem. Phys., 2005, 7, 3651
DOI: 10.1039/b506813d

Redox and redox-coupled processes of heme proteins and enzymes at electrochemical interfaces
Daniel H. Murgida and Peter Hildebrandt,�Phys. Chem. Chem. Phys., 2005, 7, 3773
DOI: 10.1039/b507989f

Parallel tempering: Theory, applications, and new perspectives
David J. Earl and Michael W. Deem,�Phys. Chem. Chem. Phys., 2005, 7, 3910
DOI: 10.1039/b509983h

Static and dynamic aspects of DNA charge transfer: a theoretical perspective
Tobias Cramer, Thomas Steinbrecher, Andreas Labahn and Thorsten Koslowski,�Phys. Chem. Chem. Phys., 2005, 7, 4039
DOI: 10.1039/b507454a

Published 2004

Properties of WAu₁₂
Jochen Autschbach, Bernd A. Hess, Mikael P. Johansson, Johannes Neugebauer, Michael Patzschke, Pekka Pyykk�, Markus Reiher and Dage Sundholm,�Phys. Chem. Chem. Phys., 2004, 6, 11
DOI: 10.1039/b310395a

Miniature biofuel cells
Adam Heller,�Phys. Chem. Chem. Phys., 2004, 6, 209
DOI: 10.1039/b313149a

Cavity enhanced droplet spectroscopy: Principles, perspectives and prospects
Rachel Symes, Robert M. Sayer and Jonathan P. Reid,�Phys. Chem. Chem. Phys., 2004, 6, 474
DOI: 10.1039/b313370b

Recent developments in the quantum dynamical characterization of unimolecular resonances
Hong Zhang and Sean C. Smith,�Phys. Chem. Chem. Phys., 2004, 6, 884
DOI: 10.1039/b315824a

Cluster anions: Structure, interactions, and dynamics in the sub-nanoscale regime
Andrei Sanov and W. Carl Lineberger,�Phys. Chem. Chem. Phys., 2004, 6, 2018
DOI: 10.1039/b400524d

Relativistic quantum chemistry: the multiconfigurational approach
Bj�rn O. Roos and Per-�ke Malmqvist,�Phys. Chem. Chem. Phys., 2004, 6, 2919
DOI: 10.1039/b401472n

Electrochemical and theoretical aspects of electrospray ionisation
Tatiana C. Rohner, Niels Lion and Hubert H. Girault,�Phys. Chem. Chem. Phys., 2004, 6, 3056
DOI: 10.1039/b316836k

Collision-induced non-adiabatic transitions between the ion-pair states of molecular iodine: A challenge for experiment and theory
Timur V. Tscherbul, Alexei A. Buchachenko, Mikhail E. Akopyan, Sergey A. Poretsky, Anatoly M. Pravilov and Thomas A. Stephenson,�Phys. Chem. Chem. Phys., 2004, 6, 3201
DOI: 10.1039/b402655a

Vibrational spectroscopic studies on CO adsorption, NO adsorption CO + NO reaction on Pd model catalysts
Emrah Ozensoy and D. Wayne Goodman,�Phys. Chem. Chem. Phys., 2004, 6, 3765
DOI: 10.1039/b402302a

Physical chemistry of encapsulation and release
Gleb B. Sukhorukov, Andreas Fery, Milan Brumen and Helmuth M�hwald,�Phys. Chem. Chem. Phys., 2004, 6, 4078
DOI: 10.1039/b406006g

Slip and coupling phenomena at the liquid�solid interface
Jonathan S. Ellis and Michael Thompson,�Phys. Chem. Chem. Phys., 2004, 6, 4928
DOI: 10.1039/b409342a

Noble metal decoration of single crystal platinum surfaces to create well-defined bimetallic electrocatalysts
J. S. Spendelow and A. Wieckowski,�Phys. Chem. Chem. Phys., 2004, 6, 5094
DOI: 10.1039/b409140j

Measurements of the material properties of metal nanoparticles by time-resolved spectroscopy
Gregory V. Hartland,�Phys. Chem. Chem. Phys., 2004, 6, 5263
DOI: 10.1039/b413368d

Photo-induced decomposition of organic peroxides: Ultrafast formation and decarboxylation of carbonyloxy radicals
Michael Buback, Matthias Kling, Stefan Schmatz and J�rg Schroeder,�Phys. Chem. Chem. Phys., 2004, 6, 5441
DOI: 10.1039/b410875b

Published 2003

Dynamical properties of X-ray Raman scattering
P. Saek, A. Baev, F. Gel'mukhanov and H. �gren,�Phys. Chem. Chem. Phys., 2003, 5, 1
DOI: 10.1039/b209717f

The heterogeneous hydrolysis of NO₂ in laboratory systems and in outdoor and indoor atmospheres: An integrated mechanism
B. J. Finlayson-Pitts, L. M. Wingen, A. L. Sumner, D. Syomin and K. A. Ramazan,�Phys. Chem. Chem. Phys., 2003, 5, 223
DOI: 10.1039/b208564j

High resolution spectroscopy and structure of molecular dications
Simon G. Cox, Andrew D. J. Critchley, Peter S. Kreynin, Iain R McNab, Ralph C. Shiell and Fiona E Smith,�Phys. Chem. Chem. Phys., 2003, 5, 663
DOI: 10.1039/b209398g

Non-Born�Oppenheimer calculations of atoms and molecules
Mauricio Cafiero, Sergiy Bubin and Ludwik Adamowicz,�Phys. Chem. Chem. Phys., 2003, 5, 1491
DOI: 10.1039/b211193d

Investigating the gas-phase chemical reactions of molecular dications
Stephen D. Price,�Phys. Chem. Chem. Phys., 2003, 5, 1717
DOI: 10.1039/b301957h

Molecules under extreme conditions: Chemical reactions at high pressure
Vincenzo Schettino and Roberto Bini,�Phys. Chem. Chem. Phys., 2003, 5, 1951
DOI: 10.1039/b301381b

The time-resolved thermodynamics of the chromophore�protein interactions in biological photosensors as derived from photothermal measurements
Aba Losi and Silvia E. Braslavsky,�Phys. Chem. Chem. Phys., 2003, 5, 2739
DOI: 10.1039/b303848c

Electron attachment and intramolecular electron transfer in unsaturated chloroderivatives
Alberto Modelli,�Phys. Chem. Chem. Phys., 2003, 5, 2923
DOI: 10.1039/b304083f

The hydrophobic effect
B. Widom, P. Bhimalapuram and Kenichiro Koga,�Phys. Chem. Chem. Phys., 2003, 5, 3085
DOI: 10.1039/b304038k

Rydberg wave packets in molecules
R. A. L. Smith, J. R. R. Verlet and H. H. Fielding,�Phys. Chem. Chem. Phys., 2003, 5, 3567
DOI: 10.1039/b304791c

Spectroscopic properties of interstellar molecules: Theory and experiment
Peter Botschwina,�Phys. Chem. Chem. Phys., 2003, 5, 3337
DOI: 10.1039/b303753n

Continuum solvation models: Dissecting the free energy of solvation
F. Javier Luque, C. Curutchet, J. Mu�oz-Muriedas, A. Bidon-Chanal, I. Soteras, A. Morreale, J. L. Gelp� and Modesto Orozco,�Phys. Chem. Chem. Phys., 2003, 5, 3827
DOI: 10.1039/b306954k

Electrochemistry of immobilised redox droplets: Concepts and applications
Craig E. Banks, Trevor J. Davies, Russell G. Evans, Geraldine Hignett, Andrew J. Wain, Nathan S. Lawrence, Jay D. Wadhawan, Frank Marken and Richard G. Compton,�Phys. Chem. Chem. Phys., 2003, 5, 4053
DOI: 10.1039/b307326m

Polymeric solid-state dye lasers: Recent developments
A. Costela, I. Garc�a-Moreno and R. Sastre,�Phys. Chem. Chem. Phys., 2003, 5, 4745
DOI: 10.1039/b307700b

Magnetically induced anions
Victor G. Bezchastnov, Peter Schmelcher and Lorenz S. Cederbaum,�Phys. Chem. Chem. Phys., 2003, 5, 4981
DOI: 10.1039/b309379b

Dynamic aspects and associated structures of TiO₂(110) and CeO₂(111) surfaces relevant to oxide catalyses
Ken-ichi Fukui, Satoru Takakusagi, Ryugo Tero, Masaki Aizawa, Yoshimichi Namai and Yasuhiro Iwasawa,�Phys. Chem. Chem. Phys., 2003, 5, 5349
DOI: 10.1039/b307879e

Published 2002

Exact reaction dynamics by the hyperquantization algorithm: integral and differential cross sections for F+H₂, including long-range and spin�orbit effects
V. Aquilanti, S. Cavalli, D. De Fazio, A. Volpi, A. Aguilar, X. Gim�nez and J. M. Lucas,�Phys. Chem. Chem. Phys., 2002, 4, 401
DOI: 10.1039/b107239k

Excited-state hydrogen detachment and hydrogen transfer driven by repulsive ¹* states: A new paradigm for nonradiative decay in aromatic biomolecules
A. L. Sobolewski, W. Domcke, C. Dedonder-Lardeux and C. Jouvet,�Phys. Chem. Chem. Phys., 2002, 4, 1093
DOI: 10.1039/b110941n

Propagating fronts in periodic precipitation systems with redissolution
Rabih F. Sultan,�Phys. Chem. Chem. Phys., 2002, 4, 1253
DOI: 10.1039/b109278m

The spectroscopy of water vapour: Experiment, theory and applications
Peter F. Bernath,�Phys. Chem. Chem. Phys., 2002, 4, 1501
DOI: 10.1039/b200372d

Active control of product selection in a chemical reaction: a view of the current scene
Stuart A. Rice and Suhail P. Shah,�Phys. Chem. Chem. Phys., 2002, 4, 1683
DOI: 10.1039/b109911f

Determination of adsorption energies and kinetic parameters by isosteric methods
Wolfgang Ranke and Yvonne Joseph,�Phys. Chem. Chem. Phys., 2002, 4, 2483
DOI: 10.1039/b200363e

Quantum-dressed classical mechanics: Theory and application
G. D. Billing,�Phys. Chem. Chem. Phys., 2002, 4, 2865
DOI: 10.1039/b202151j

The chemical kinetics and dynamics of the prototypical reaction: OH+H₂H₂O+H
Ian W. M. Smith and F. Fleming Crim,�Phys. Chem. Chem. Phys., 2002, 4, 3543
DOI: 10.1039/b200985b

Imaging thin films of organic molecules with the scanning tunnelling microscope
R. E. Palmer and Q. Guo,�Phys. Chem. Chem. Phys., 2002, 4, 4275
DOI: 10.1039/b202462d

Molecular properties in solution described with a continuum solvation model
Jacopo Tomasi, Roberto Cammi, Benedetta Mennucci, Chiara Cappelli and Stefano Corni,�Phys. Chem. Chem. Phys., 2002, 4, 5697
DOI: 10.1039/b207281p

Published 2001

Getting into shape: Conformational and supramolecular landscapes in small biomolecules and their hydrated clusters
Evan G. Robertson and John P. Simons,�Phys. Chem. Chem. Phys., 2001, 3, 1
DOI: 10.1039/b008225m

Metal ions in hydrogen bonded solvents: a gas phase perspective
A. J. Stace,�Phys. Chem. Chem. Phys., 2001, 3, 1935
DOI: 10.1039/b101126j

Ordered melts of block copolymers of ethylene oxide and 1,2-butylene oxide
Anthony J. Ryan, Shao-Min Mai, J. Patrick A. Fairclough, Ian W. Hamley and Colin Booth,�Phys. Chem. Chem. Phys., 2001, 3, 2961
DOI: 10.1039/b102784k

Aqueous mesophases of block copolymers of ethylene oxide and 1,2-butylene oxide
Ian W. Hamley, Shao-Min Mai, Anthony J. Ryan, J. Patrick A. Fairclough and Colin Booth,�Phys. Chem. Chem. Phys., 2001, 3, 2972
DOI: 10.1039/b102782b

Unravelling aspects of the gas phase chemistry involved in diamond chemical vapour deposition
Michael N. R. Ashfold, Paul W. May, James R. Petherbridge, Keith N. Rosser, James A. Smith, Yuri A. Mankelevich and Nikolay V. Suetin,�Phys. Chem. Chem. Phys., 2001, 3, 3471
DOI: 10.1039/b104265n

Surface processes and electrocatalysis on the Pt(hkl )/Bi-solution interface
Thomas J. Schmidt, Vojislav R. Stamenkovic, Christopher A. Lucas, Nenad M. Markovic and Philip N. Ross Jr.,�Phys. Chem. Chem. Phys., 2001, 3, 3879
DOI: 10.1039/b102388h

Electrostatic potential inside ionic solutions confined by dielectrics: a variational approach
Rosalind Allen, Jean-Pierre Hansen and Simone Melchionna,�Phys. Chem. Chem. Phys., 2001, 3, 4177
DOI: 10.1039/b105176h

Three-body reaction dynamics in electron-ion dissociative recombination
Mats Larsson and Richard Thomas,�Phys. Chem. Chem. Phys., 2001, 3, 4471
DOI: 10.1039/b104406k

Published 2000

Ionic solids at elevated temperatures and/or high pressures: lattice dynamics, molecular dynamics, Monte Carlo and abinitio studies
Neil L. Allan, Gustavo D. Barrera, John A. Purton, Chris E. Sims and Mark B. Taylor,�Phys. Chem. Chem. Phys., 2000, 2, 1099
DOI: 10.1039/a908622f

From atoms to crystallites: adsorption on oxide-supported metal particles
Martin Frank and Marcus B�umer,�Phys. Chem. Chem. Phys., 2000, 2, 3723
DOI: 10.1039/b004091f

Published 1999

The surface acidity of solid oxides and its characterization by IR spectroscopic methods. An attempt at systematization
G Busca,�Phys. Chem. Chem. Phys., 1999, 1, 723
DOI: 10.1039/a808366e

Some key factors of energy distributions in the products of complex-forming elementary reactions
L Bonnet and J C. Rayez,�Phys. Chem. Chem. Phys., 1999, 1, 2383
DOI: 10.1039/a809986c

Quantum-mechanical statistical theories for chemical reactivity: overlapping resonances
Mich�le Desouter-Lecomte and Xavier Chapuisat,�Phys. Chem. Chem. Phys., 1999, 1, 2635
DOI: 10.1039/a808640k

EPR and ENDOR studies of NO_x and Cu²⁺ in zeolites: bonding and diffusion
Daniele Biglino, Haitao Li, Roland Erickson, Anders Lund, Hidenori Yahiro and Masaru Shiotani,�Phys. Chem. Chem. Phys., 1999, 1, 2887
DOI: 10.1039/a809284b

The effect of shear flow on the mesoscopic structure of partially miscible polymer blends
Herve Gerard and Julia S. Higgins,�Phys. Chem. Chem. Phys., 1999, 1, 3059
DOI: 10.1039/a901767d

CO₂ hydrogenation over metal/zirconia catalysts
J�rg Wambach, Alfons Baiker and Alexander Wokaun,�Phys. Chem. Chem. Phys., 1999, 1, 5071
DOI: 10.1039/a904923a

Rare gas�dihalogen potential energy surfaces
Andreas Rohrbacher, Jason Williams and Kenneth C. Janda,�Phys. Chem. Chem. Phys., 1999, 1, 5263
DOI: 10.1039/a906664k

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