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High quality research in physical chemistry, chemical physics and biophysical chemistry.
Contents list for Physical Chemistry Chemical Physics, issue 19, 2008
Front cover
Phys. Chem. Chem. Phys., 2008, 10, 2561
DOI: 10.1039/b806487n
Inside front cover
Phys. Chem. Chem. Phys., 2008, 10, 2562
DOI: 10.1039/b806488c
Contents
Phys. Chem. Chem. Phys., 2008, 10, 2563
DOI: 10.1039/b806489j
Editorial
Stacking interactions
Phys. Chem. Chem. Phys., 2008, 10, 2581
DOI: 10.1039/b805489b
Perspectives
Nature and physical origin of CH/
interaction: significant difference from conventional hydrogen bonds
Seiji Tsuzuki and Asuka Fujii,
Phys. Chem. Chem. Phys., 2008, 10, 2584
DOI: 10.1039/b718656h
Nature and magnitude of aromatic stacking of nucleic acid bases
Ji
í 
poner, Kevin E. Riley and Pavel Hobza,
Phys. Chem. Chem. Phys., 2008, 10, 2595
DOI: 10.1039/b719370j
Papers
Intermolecular – interactions in solids
Miroslav Rube
and Ota Bludský,
Phys. Chem. Chem. Phys., 2008, 10, 2611
DOI: 10.1039/b718701g
Induction effects in metal cation–benzene complexes
Ignacio Soteras, Modesto Orozco and F. Javier Luque,
Phys. Chem. Chem. Phys., 2008, 10, 2616
DOI: 10.1039/b719461g
Crystal packing of TCNQ anion 
-radicals governed by intermolecular covalent – bonding: DFT calculations and statistical analysis of crystal structures
Jingsong Huang, Stephanie Kingsbury and Miklos Kertesz,
Phys. Chem. Chem. Phys., 2008, 10, 2625
DOI: 10.1039/b717752f
A post-SCF complete basis set study on the recognition patterns of uracil and cytosine by aromatic and –aromatic stacking interactions with amino acid residues
Piotr Cysewski,
Phys. Chem. Chem. Phys., 2008, 10, 2636
DOI: 10.1039/b718394a
Substituent effects in parallel-displaced – interactions
Stephen A. Arnstein and C. David Sherrill,
Phys. Chem. Chem. Phys., 2008, 10, 2646
DOI: 10.1039/b718742d
The excited states of -stacked 9-methyladenine oligomers: a TD-DFT study in aqueous solution
Roberto Improta,
Phys. Chem. Chem. Phys., 2008, 10, 2656
DOI: 10.1039/b718562f
The post-SCF quantum chemistry characteristics of the guanine–guanine stacking in B-DNA
Piotr Cysewski, 
aneta Czy
nikowska, Robert Zale
ny and Przemys
aw Czele
,
Phys. Chem. Chem. Phys., 2008, 10, 2665
DOI: 10.1039/b718635e
Thermodynamics of stacking interactions in proteins
Simone Marsili, Riccardo Chelli, Vincenzo Schettino and Piero Procacci,
Phys. Chem. Chem. Phys., 2008, 10, 2673
DOI: 10.1039/b718519g
Through-space interactions between parallel-offset arenes at the van der Waals distance: 1,8-diarylbiphenylene syntheses, structure and QM computations
Franco Cozzi, Rita Annunziata, Maurizio Benaglia, Kim K. Baldridge, Gerardo Aguirre, Jesús Estrada, Yongsak Sritana-Anant and Jay S. Siegel,
Phys. Chem. Chem. Phys., 2008, 10, 2686
DOI: 10.1039/b800031j
Enhanced HTML article available
Ab initio study of substituent effects in the interactions of dimethyl ether with aromatic rings
Jay C. Amicangelo, Benjamin W. Gung, Daniel G. Irwin and Natalie C. Romano,
Phys. Chem. Chem. Phys., 2008, 10, 2695
DOI: 10.1039/b718722j
A QM/MM study of fluoroaromatic interactions at the binding site of carbonic anhydrase II, using a DFT method corrected for dispersive interactions
Claudio A. Morgado, Ian H. Hillier, Neil A. Burton and Joseph J. W. McDouall,
Phys. Chem. Chem. Phys., 2008, 10, 2706
DOI: 10.1039/b715514j
Searching of potential energy curves for the benzene dimer using dispersion-corrected density functional theory
Prakash Chandra Jha, Zilvinas Rinkevicius, Hans Ĺgren, Prasenjit Seal and Swapan Chakrabarti,
Phys. Chem. Chem. Phys., 2008, 10, 2715
DOI: 10.1039/b717983a
Structures and interaction energies of stacked graphene–nucleobase complexes
Jens Antony and Stefan Grimme,
Phys. Chem. Chem. Phys., 2008, 10, 2722
DOI: 10.1039/b718788b
Describing weak interactions of biomolecules with dispersion-corrected density functional theory
I-Chun Lin and Ursula Rothlisberger,
Phys. Chem. Chem. Phys., 2008, 10, 2730
DOI: 10.1039/b718594d
Physical origins of interactions in dimers of polycyclic aromatic hydrocarbons
Rafa Podeszwa and Krzysztof Szalewicz,
Phys. Chem. Chem. Phys., 2008, 10, 2735
DOI: 10.1039/b719725j
Benchmark database on isolated small peptides containing an aromatic side chain: comparison between wave function and density functional theory methods and empirical force field
Haydee Valdes, Kristýna Pluhá
ková, Michal Pitonák, Jan 
ezá and Pavel Hobza,
Phys. Chem. Chem. Phys., 2008, 10, 2747
DOI: 10.1039/b719294k
Scope and limitations of the SCS-MP2 method for stacking and hydrogen bonding interactions
Rafa A. Bachorz, Florian A. Bischoff, Sebastian Höfener, Wim Klopper, Philipp Ottiger, Roman Leist, Jann A. Frey and Samuel Leutwyler,
Phys. Chem. Chem. Phys., 2008, 10, 2758
DOI: 10.1039/b718494h
The interaction of carbohydrates and amino acids with aromatic systems studied by density functional and semi-empirical molecular orbital calculations with dispersion corrections
Raman Sharma, Jonathan P. McNamara, Rajesh K. Raju, Mark A. Vincent, Ian H. Hillier and Claudio A. Morgado,
Phys. Chem. Chem. Phys., 2008, 10, 2767
DOI: 10.1039/b719764k
Probing the effects of heterogeneity on delocalized 
interaction energies
Desiree M. Bates, Julie A. Anderson, Ponmile Oloyede and Gregory S. Tschumper,
Phys. Chem. Chem. Phys., 2008, 10, 2775
DOI: 10.1039/b718720c
Competition between stacking and hydrogen bonding: theoretical study of the phenolAr cation and neutral complex and comparison to experiment
Jií 
erný, Xin Tong, Pavel Hobza and Klaus Müller-Dethlefs,
Phys. Chem. Chem. Phys., 2008, 10, 2780
DOI: 10.1039/b801460b
Calculating stacking interactions in nucleic acid base-pair steps using spin-component scaling and local second order Mřller–Plesset perturbation theory
J. Grant Hill and James A. Platts,
Phys. Chem. Chem. Phys., 2008, 10, 2785
DOI: 10.1039/b718691f
Controlled aggregation of adenine by sugars: physicochemical studies, molecular modelling simulations of sugar–aromatic CH– stacking interactions, and biological significance
Marc Maresca, Adel Derghal, Céline Carravagna, Séverine Dudin and Jacques Fantini,
Phys. Chem. Chem. Phys., 2008, 10, 2792
DOI: 10.1039/b802594k
Computational comparison of the stacking interactions between the aromatic amino acids and the natural or (cationic) methylated nucleobases
Lesley R. Rutledge, Holly F. Durst and Stacey D. Wetmore,
Phys. Chem. Chem. Phys., 2008, 10, 2801
DOI: 10.1039/b718621e
Computational characterization and modeling of buckyball tweezers: density functional study of concave–convex interactions
Yan Zhao and Donald G. Truhlar,
Phys. Chem. Chem. Phys., 2008, 10, 2813
DOI: 10.1039/b717744e
Non-standard base pairing and stacked structures in methyl xanthine clusters
Michael P. Callahan, Zsolt Gengeliczki, Nathan Svadlenak, Haydee Valdes, Pavel Hobza and Mattanjah S. de Vries,
Phys. Chem. Chem. Phys., 2008, 10, 2819
DOI: 10.1039/b719874d
N–H interactions in pyrroles: systematic trends from the vibrational spectroscopy of clusters
Ingo Dauster, Corey A. Rice, Philipp Zielke and Martin A. Suhm,
Phys. Chem. Chem. Phys., 2008, 10, 2827
DOI: 10.1039/b717823a
Experimental and theoretical determination of the accurate interaction energies in benzene–halomethane: the unique nature of the activated CH/ interaction of haloalkanes
Asuka Fujii, Kenta Shibasaki, Takaki Kazama, Ryousuke Itaya, Naohiko Mikami and Seiji Tsuzuki,
Phys. Chem. Chem. Phys., 2008, 10, 2836
DOI: 10.1039/b717053j
IR/UV spectra and quantum chemical calculations of Trp–Ser: Stacking interactions between backbone and indole side-chain
Thomas Häber, Kai Seefeld, Gernot Engler, Stefan Grimme and Karl Kleinermanns,
Phys. Chem. Chem. Phys., 2008, 10, 2844
DOI: 10.1039/b718710f
Fluorine substitution and nonconventional OH intramolecular bond: high-resolution UV spectroscopy and ab initio calculations of 2-(p-fluorophenyl)ethanol
Rosen Karaminkov, Sotir Chervenkov and Hans J. Neusser,
Phys. Chem. Chem. Phys., 2008, 10, 2852
DOI: 10.1039/b718974e
CH/ interactions in methane clusters with polycyclic aromatic hydrocarbons
Seiji Tsuzuki, Kazumasa Honda, Asuka Fujii, Tadafumi Uchimaru and Masuhiro Mikami,
Phys. Chem. Chem. Phys., 2008, 10, 2860
DOI: 10.1039/b718550b
Back matter
Phys. Chem. Chem. Phys., 2008, 10, 2866
DOI: 10.1039/b806490n
Back cover
Phys. Chem. Chem. Phys., 2008, 10, 2867
DOI: 10.1039/b806491c
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