PCCP Perspectives

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High quality research in physical chemistry, chemical physics and biophysical chemistry.

PCCP Perspectives

Perspectives are commissioned by the PCCP Editorial Board and are intended to be high profile articles presenting authoritative state-of-the-art accounts of selected research fields, whilst recognizing the wide readership of PCCP. The topics are chosen from within the areas of physical chemistry and chemical physics. They may take the form of a personal account of research, or a critical analysis of a topic of current interest.

Simulation of DNA catenanes
Alexander Vologodskii and Valentin V. Rybenkov,�Phys. Chem. Chem. Phys., 2009, 11, 10543
DOI: 10.1039/b910812b
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Viral assembly: a molecular modeling perspective
Stephen C. Harvey, Anton S. Petrov, Batsal Devkota and Mustafa Burak Boz,�Phys. Chem. Chem. Phys., 2009, 11, 10553
DOI: 10.1039/b912884k
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Clathrate hydrates with hydrogen-bonding guests
Victoria Buch, J. Paul Devlin, I. Abrrey Monreal, Barbara Jagoda-Cwiklik, Nevin Uras-Aytemiz and Lukasz Cwiklik,�Phys. Chem. Chem. Phys., 2009, 11, 10245
DOI: 10.1039/b911600c
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The formation of equilibrium space-charge zones at grain boundaries in the perovskite oxide SrTiO₃
Roger A. De Souza,�Phys. Chem. Chem. Phys., 2009, 11, 9939
DOI: 10.1039/b904100a
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Colloidal transport on magnetic garnet films
Pietro Tierno, Francesc Sagu�s, Tom H. Johansen and Thomas M. Fischer,�Phys. Chem. Chem. Phys., 2009, 11, 9615
DOI: 10.1039/b910427e
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A dipolar gas of ultracold molecules
K.-K. Ni, S. Ospelkaus, D. J. Nesbitt, J. Ye and D. S. Jin,�Phys. Chem. Chem. Phys., 2009, 11, 9626
DOI: 10.1039/b911779b
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Catanionic surfactant vesicles for electrostatic molecular sequestration and separation
Sara B. Lioi, Xiang Wang, Mohammad R. Islam, Emily J. Danoff and Douglas S. English,�Phys. Chem. Chem. Phys., 2009, 11, 9315
DOI: 10.1039/b908523h
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Understanding underlying processes in formic acid fuel cells
Sunghyun Uhm, Hye Jin Lee and Jaeyoung Lee,�Phys. Chem. Chem. Phys., 2009, 11, 9326
DOI: 10.1039/b909525j
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The hydrogen bond: a molecular beam microwave spectroscopists view with a universal appeal
Mausumi Goswami and E. Arunan,�Phys. Chem. Chem. Phys., 2009, 11, 8974
DOI: 10.1039/b907708a
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Interactions and dynamics in electrolyte solutions by dielectric spectroscopy
Richard Buchner and Glenn Hefter,�Phys. Chem. Chem. Phys., 2009, 11, 8984
DOI: 10.1039/b906555p
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Modelling energy level alignment at organic interfaces and density functional theory
F. Flores, J. Ortega and H. V�zquez,�Phys. Chem. Chem. Phys., 2009, 11, 8658
DOI: 10.1039/b902492c
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Quantum chemistry of macromolecules and solids
So Hirata,�Phys. Chem. Chem. Phys., 2009, 11, 8397
DOI: 10.1039/b905812p
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Nitrile groups as vibrational probes of biomolecular structure and dynamics: an overview
Beth A. Lindquist, Kristina E. Furse and Steven A. Corcelli,�Phys. Chem. Chem. Phys., 2009, 11, 8119
DOI: 10.1039/b908588b
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Reactions at surfaces in the atmosphere: integration of experiments and theory as necessary (but not necessarily sufficient) for predicting the physical chemistry of aerosols
Barbara J. Finlayson-Pitts,�Phys. Chem. Chem. Phys., 2009, 11, 7760
DOI: 10.1039/b906540g
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EXAFS spectroscopy as a tool to probe metal�support interaction and surface molecular structures in oxide-supported catalysts: application to Al₂O₃-supported Ni(II) complexes and ZrO₂-supported tungstates
Xavier Carrier, Eric Marceau, Hugo Carabineiro, Vicente Rodr�guez-Gonz�lez and Michel Che,�Phys. Chem. Chem. Phys., 2009, 11, 7527
DOI: 10.1039/b822969d
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Surface-enhanced Raman spectroscopy of dyes: from single molecules to the artists canvas
Kristin L. Wustholz, Christa L. Brosseau, Francesca Casadio and Richard P. Van Duyne,�Phys. Chem. Chem. Phys., 2009, 11, 7350
DOI: 10.1039/b904733f
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On the role of individual metal oxide nanowires in the scaling down of chemical sensors
Francisco Hernandez-Ramirez, J. Daniel Prades, Roman Jimenez-Diaz, Thomas Fischer, Albert Romano-Rodriguez, Sanjay Mathur and Joan R. Morante,�Phys. Chem. Chem. Phys., 2009, 11, 7105
DOI: 10.1039/b905234h
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Recent advances in solid-state NMR spectroscopy of spin I = 1/2 nuclei
Anne Lesage,�Phys. Chem. Chem. Phys., 2009, 11, 6876
DOI: 10.1039/b907733m
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Recent advances in solid-state NMR spectroscopy of quadrupolar nuclei
Sharon E. Ashbrook,�Phys. Chem. Chem. Phys., 2009, 11, 6892
DOI: 10.1039/b907183k
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Molecular nanomagnets and magnetic nanoparticles: the EMR contribution to a common approach
M. Fittipaldi, L. Sorace, A.-L. Barra, C. Sangregorio, R. Sessoli and D. Gatteschi,�Phys. Chem. Chem. Phys., 2009, 11, 6555
DOI: 10.1039/b905880j
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Shedding light on water structure at air�aqueous interfaces: ions, lipids, and hydration
Heather C. Allen, Nadia N. Casillas-Ituarte, M. Roxana Sierra-Hern�ndez, Xiangke Chen and Cheng Y. Tang,�Phys. Chem. Chem. Phys., 2009, 11, 5538
DOI: 10.1039/b901209e
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Theoretical evaluation of zeolite confinement effects on the reactivity of bulky intermediates
David Lesthaeghe, Veronique Van Speybroeck and Michel Waroquier,�Phys. Chem. Chem. Phys., 2009, 11, 5222
DOI: 10.1039/b902364j
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Initiated and oxidative chemical vapor deposition: a scalable method for conformal and functional polymer films on real substrates
Salmaan H. Baxamusa, Sung Gap Im and Karen K. Gleason,�Phys. Chem. Chem. Phys., 2009, 11, 5227
DOI: 10.1039/b900455f
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Ultrasound-assisted synthesis of carbon materials
Sara E. Skrabalak,�Phys. Chem. Chem. Phys., 2009, 11, 4930
DOI: 10.1039/b823408f
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Time-dependent density functional theory of high excitations: to infinity, and beyond
Meta van Faassen and Kieron Burke,�Phys. Chem. Chem. Phys., 2009, 11, 4437
DOI: 10.1039/b901402k
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Bright and dark excitons in semiconductor carbon nanotubes: insights from electronic structure calculations
Svetlana Kilina, Ekaterina Badaeva, Andrei Piryatinski, Sergei Tretiak, Avadh Saxena and Alan R. Bishop,�Phys. Chem. Chem. Phys., 2009, 11, 4113
DOI: 10.1039/b818473a
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Lighting the way ahead with boron dipyrromethene (Bodipy) dyes
Andrew C. Benniston and Graeme Copley,�Phys. Chem. Chem. Phys., 2009, 11, 4124
DOI: 10.1039/b901383k
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Laser ablation synthesis in solution and size manipulation of noble metal nanoparticles
Vincenzo Amendola and Moreno Meneghetti,�Phys. Chem. Chem. Phys., 2009, 11, 3805
DOI: 10.1039/b900654k
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Insights from theory and simulation on the electrical double layer
Douglas Henderson and Dezs Boda,�Phys. Chem. Chem. Phys., 2009, 11, 3822
DOI: 10.1039/b815946g
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Photophysical aspects of molecular probes near nanostructured gold surfaces
Sujit Kumar Ghosh and Tarasankar Pal,�Phys. Chem. Chem. Phys., 2009, 11, 3831
DOI: 10.1039/b817373g
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Refined kinetic transition networks for the GB1 hairpin peptide
Joanne M. Carr and David J. Wales,�Phys. Chem. Chem. Phys., 2009, 11, 3341
DOI: 10.1039/b820649j
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Studying the microscopic nature of diffusion with helium-3 spin-echo
A. P. Jardine, G. Alexandrowicz, H. Hedgeland, W. Allison and J. Ellis,�Phys. Chem. Chem. Phys., 2009, 11, 3355
DOI: 10.1039/b810769f
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Nanoionics: ionic charge carriers in small systems
Joachim Maier,�Phys. Chem. Chem. Phys., 2009, 11, 3011
DOI: 10.1039/b902586n
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Micro-ionics: next generation power sources
Harry L. Tuller, Scott J. Litzelman and WooChul Jung,�Phys. Chem. Chem. Phys., 2009, 11, 3023
DOI: 10.1039/b901906e
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Nanoporous oxidic solids: the confluence of heterogeneous and homogeneous catalysis
John Meurig Thomas, Juan Carlos Hernandez-Garrido, Robert Raja and Robert G. Bell,�Phys. Chem. Chem. Phys., 2009, 11, 2799
DOI: 10.1039/b819249a
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Supported vanadium oxide in heterogeneous catalysis: elucidating the structure�activity relationship with spectroscopy
Ilke Muylaert and Pascal Van Der Voort,�Phys. Chem. Chem. Phys., 2009, 11, 2826
DOI: 10.1039/b819808j
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Correlating phase behaviour and diffusion in mesopores: perspectives revealed by pulsed field gradient NMR
Rustem Valiullin, J�rg K�rger and Roger Gl�ser,�Phys. Chem. Chem. Phys., 2009, 11, 2833
DOI: 10.1039/b822939b
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Ultrafast vibrational spectroscopy of charge-carrier dynamics in organic photovoltaic materials
Ryan D. Pensack, Kyle M. Banyas, Larry W. Barbour, Maureen Hegadorn and John B. Asbury,�Phys. Chem. Chem. Phys., 2009, 11, 2575
DOI: 10.1039/b817113k
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Multireference state-specific coupled-cluster methods. State-of-the-art and perspectives
Vladimir V. Ivanov, Dmitry I. Lyakh and Ludwik Adamowicz,�Phys. Chem. Chem. Phys., 2009, 11, 2355
DOI: 10.1039/b818590p
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Optical differential reflectance spectroscopy of ultrathin epitaxial organic films
Roman Forker and Torsten Fritz,�Phys. Chem. Chem. Phys., 2009, 11, 2142
DOI: 10.1039/b814628d
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Multiscale modeling of emergent materials: biological and soft matter
Teemu Murtola, Alex Bunker, Ilpo Vattulainen, Markus Deserno and Mikko Karttunen,�Phys. Chem. Chem. Phys., 2009, 11, 1869
DOI: 10.1039/b818051b
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Quantum dynamics of light-driven chiral molecular motors
Masahiro Yamaki, Shin-ichiro Nakayama, Kunihito Hoki, Hirohiko Kono and Yuichi Fujimura,�Phys. Chem. Chem. Phys., 2009, 11, 1662
DOI: 10.1039/b815047h
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Vibrational spectroscopy of size-selected neutral and cationic clusters combined with vacuum-ultraviolet one-photon ionization detection
Yoshiyuki Matsuda, Naohiko Mikami and Asuka Fujii,�Phys. Chem. Chem. Phys., 2009, 11, 1279
DOI: 10.1039/b815257h
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Detailed balance in multiple-well chemical reactions
James A. Miller, Stephen J. Klippenstein, Struan H. Robertson, Michael J. Pilling and Nicholas J. B. Green,�Phys. Chem. Chem. Phys., 2009, 11, 1128
DOI: 10.1039/b811312b
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Cross-diffusion and pattern formation in reaction�diffusion systems
Vladimir K. Vanag and Irving R. Epstein,�Phys. Chem. Chem. Phys., 2009, 11, 897
DOI: 10.1039/b813825g
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How to turn your pump�probe instrument into a multidimensional spectrometer: 2D IR and Vis spectroscopies via pulse shaping
Sang-Hee Shim and Martin T. Zanni,�Phys. Chem. Chem. Phys., 2009, 11, 748
DOI: 10.1039/b813817f
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Seven conformers of L-threonine in the gas phase: a LA-MB-FTMW study
Jos� L. Alonso, Crist�bal P�rez, M. Eugenia Sanz, Juan C. L�pez and Susana Blanco,�Phys. Chem. Chem. Phys., 2009, 11, 617
DOI: 10.1039/b810940k
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Screened hybrid density functionals for solid-state chemistry and physics
Benjamin G. Janesko, Thomas M. Henderson and Gustavo E. Scuseria,�Phys. Chem. Chem. Phys., 2009, 11, 443
DOI: 10.1039/b812838c
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Electron spin resonance spectroscopy in drug delivery
Giacomo Martini and Laura Ciani,�Phys. Chem. Chem. Phys., 2009, 11, 211
DOI: 10.1039/b808263d
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What can be learned from single molecule spectroscopy? Applications to sol�gel-derived silica materials
Fangmao Ye, Maryanne M. Collinson and Daniel A. Higgins,�Phys. Chem. Chem. Phys., 2009, 11, 66
DOI: 10.1039/b812924j
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Quantum dot-based resonance energy transfer and its growing application in biology
Igor L. Medintz and Hedi Mattoussi,�Phys. Chem. Chem. Phys., 2009, 11, 17
DOI: 10.1039/b813919a
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Collapse transition in proteins
Guy Ziv, D. Thirumalai and Gilad Haran,�Phys. Chem. Chem. Phys., 2009, 11, 83
DOI: 10.1039/b813961j
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