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High quality research in physical chemistry, chemical physics and biophysical chemistry.
Hot Articles
Hot Article: Collapse transition in proteins
14 November 2008
In this Perspective article, Gilad Haran and colleagues describe the basics of the collapse transition, starting with homopolymers and continuing with proteins.
Hot Article: Vibrational exciton coupling as a probe for phase transitions and shape changes of fluoroform aerosol particles
12 November 2008
Ruth Signorell and colleagues study the phase behavior and associated shape changes of fluoroform aerosol particles.
Hot Article: Probing the dynamics of polyatomic multichannel elementary reactions by crossed molecular beam experiments with soft electron-ionization mass spectrometric detection
12 November 2008
Piergiorgio Casavecchia and colleagues highlight developments in the field of chemical reaction dynamics.
Hot Article: Reaction mechanism duality in O(1D2) + CD4 OD + CD3 identified from scattering distributions of rotationally state selected CD3
11 November 2008
Toshinori Suzuki and colleagues have investigated the scattering distributions of rotationally state-selected CD3 products in the O(1D2) reaction with deuterated methane at a collision energy of 5.6 kcal/mol.
Hot Article: Generation of the organo-rare gas dications HCCRg2+ (Rg = Ar and Kr) in the reaction of acetylene dications with rare gases
11 November 2008
Daniela Ascenzi has prepared the new rare-gas compounds HCCAr2+ and HCCKr2+ using doubly ionized acetylene as a superelectrophilic reagent in hyperthermal collisions of mass-selected C2H22+ with neutral rare gases (Rg).
Hot Article: Rotationally resolved infrared spectroscopy of a jet-cooled phenyl radical in the gas phase
11 November 2008
David J. Nesbitt and colleagues have studied a phenyl radical, generated in a slit-jet cooled supersonic discharge source, via high resolution infrared spectroscopy, and obtained a...
Hot Article: Spectroscopy and conformational preferences of gas-phase helices
06 November 2008
In this paper, Thomas Rizzo and colleagues report the spectroscopy of two heilcal peptides.
Hot Paper: Cyclohexadiene ring opening observed with 13 fs resolution: Coherent oscillations confirm the reaction path
06 November 2008
In this paper, Fuß and co-workers use femtosecond Ti-sapphire laser pulses to probe the ring opening of cyclohexadiene.
Hot Article: Seven conformers of L-threonine in the gas phase: a LA-MB-FTMW study
30 October 2008
José Alonso and colleagues review some of their work on characterizing the conformers of natural amino acids.
Hot Article: Structure of lyotropic self-assembled lipid nonlamellar liquid crystals and their nanoparticles
29 September 2008
Justas Barauskas and colleagues present structural and phase behaviour of self-assembled lyotropic liquid crystals formed in mixtures of a phospholipid and vitamin E.
Hot Article: A membrane-, mediator-, cofactor-less glucose/oxygen biofuel cell
15 September 2008
Sergey Shleev tells PCCP about his recent HOT Article
Hot Article: Free energies for biological electron transfer from QM/MM calculation: method, application and critical assessment
20 August 2008
Jochen Blumberger investigates the free energies for biological electron transfer from QM/MM calculations
Hot Article: Prediction of Non-Ideal Behavior of Polarity/Polarizability Scales of Solvent Mixtures by Integration of a novel COSMO-RS Molecular Descriptor and Neural Networks
12 August 2008
Jose Palomar tells PCCP about his recent HOT Article
Hot Article: Enhanced Surface Photochemistry in Chloride-Nitrate Ion Mixtures
11 August 2008
Barbara Finlayson-Pitts and colleagues investigate the surface photochemistry of chloride-nitrate ion mixtures
Hot Article: Beyond the Lennard-Jones model: a simple and accurate potential function probed by high resolution scattering data useful for molecular dynamics simulations
11 August 2008
Fernando Pirani and colleagues probe the reliability of a recently proposed interaction potential function.
Hot Article: Effects of natural convection on thermal explosion in a closed vessel
25 July 2008
Silvana Cardoso and colleagues present a new way of ascertaining whether or not a reacting mixture will explode.
Hot Article: Synthesis and infrared characterization of Br-HBr and Br-DBr entrance channel complexes in solid parahydrogen
23 July 2008
David Anderson and colleagues provide experimental information on the structure and energetics of this important class of entrance channel species.
Hot Article: A ground-state-directed optimization scheme for the Kohn-Sham energy
21 July 2008
Stinne Høst and colleagues present a novel method for Kohn-Sham energy minimization that does not suffer from the flaws of the conventional approach.
Hot Article: Solid-state phosphorus-31 NMR spectroscopy of a multiple-spin system: an investigation of a rhodium-triphosphine complex
21 July 2008
Roderick Wasylishen and colleagues use solid-state phosphorus-31 NMR to investiagte a rhodium-triphosphine complex.
Hot Article: Dipolar molecular rotors in the metal-organic framework crystal IRMOF-2
15 July 2008
Erick Winston and colleagues have prepared a metal-organic framework incorporating a dipolar rotor.
Hot Article: Thermodynamics of water intrusion in nanoporous hydrophobic solids
09 July 2008
Alain Fuchs and colleagues report a joint experimental and molecular simulation study of water intrusion in silicalite-1 and ferrerite zeolites.
Hot Article: A proton between two waters: insight from full-dimensional quantum-dynamics simulations of the [H2O-H-OH2]+ cluster
04 July 2008
Oriol Vendrell and Hans-Dieter Meyer study the dynamics of a proton between two water molecules by quantum dynamics.
Hot Article: Unravelling the reactivity of antisymmetric stretch-excited CH4 with Cl by-product pair-correlation measurements
24 June 2008
Kopin Liu and colleagues explore the dynamics of a benchmark chemical reaction, between Cl atoms and CH4.
Hot Article: Electrodeposition of Ge, Si and SixGe1-x from an air- and water-stable ionic liquid
18 June 2008
Frank Endres and colleagues show that nanosized Si, Ge and, for the first time, SixGe1-x films can be made at room temperature by a relatively simple electrochemical process.
Hot Article: On the lifetimes and physical nature of incompletely relaxed electrons in liquid water
13 June 2008
Qing-Bin Lu and colleagues resolve long-standing controversies about electron hydration dynamics.
Hot Article: Unfolding and melting of DNA (RNA) hairpins: the concept of structure-specific 2D dynamic landscapes
03 June 2008
Ahmed Zewail and colleagues have developed a computational model to discover how DNA and RNA strands fold into hairpins.
Hot Article: The ionization energy of Be2, and spectroscopic characterization of the low lying electronic states
29 May 2008
Michael Heaven and colleagues investigate the low lying electronic states of the beryllium dimer by laser induced fluorescence and resonance enhanced multiphoton ionization techniq...
Hot Article: NMR crystallography of p-tert-butylcalix[4]arene host-guest complexes using 1H complexation-induced chemical shifts
16 May 2008
John Ripmeester and colleagues show that measurements and calculations of 1H chemical shifts can be used for NMR crystallography.
Hot Article: Thermodynamic considerations and computer simulations on the formation of core-shell nanoparticles under electrochemical conditions
08 May 2008
E. P. M. Leiva and colleagues report on thermodynamic modeling and computer simulations on the electrochemical generation of metallic and bimetallic nanoparticles.
Hot Article: Subsolidus phase relations in Ca2Mo2O8-NaEuMo2O8-powellite solid solution predicted from static lattice energy calculations and Monte Carlo simulations
01 May 2008
Victor Vinograd and colleagues present the results of computer simulations of the solid solution between powellite and its synthetic analogue.
Hot Paper: Spectroscopic investigation of H atom transfer in a gas-phase dissociation reaction: McLafferty rearrangement of model gas-phase peptide ions.
16 May 2008
In this paper Van Stipdonk and co-workers present a study of the product ions generated following McLafferty-rearrangement of two model peptide systems.
Hot Article: A combined droplet train and ambient pressure photoemission spectrometer for the investigation of liquid/vapor interfaces
16 May 2008
Hendrik Bluhm talks about his new apparatus for investigating the chemistry of liquid/vapor interfaces
Hot Paper: Statistical modelling of NH+/ND+ + H2/HD/D2 branching ratios
16 May 2008
Terry Frankcombe tells PCCP about his paper
Hot Article: 4D electron imaging: principles and perspectives
08 April 2008
In this perspective Ahmed Zewail and Dmitry Shorokhov highlight developments and concepts in the field of 4D electron imaging.
Hot Paper: The excited states of pi-stacked 9-methyl adenine oligomers: a TD-DFT study in aqueous solution
17 January 2008
Hans Neusser tells PCCP about his hot paper
Hot Paper: Describing weak interactions of biomolecules with dispersion-corrected density functional theory
16 May 2008
In this paper Roethlisberger and Lin show that the DCACP approach reaches similar accuracy to high-level ab initio methods for noncovalent interaction energies of biomolecules
Hot Paper: The excited states of pi-stacked 9-methyl adenine oligomers: a TD-DFT study in aqueous solution
17 January 2008
Roberto Improta tells PCCP about his hot paper
Hot Paper: Adsorption of Fibrinogen on a Biomedical-grade Stainless Steel 316LVM Surface: A PM-IRRAS Study
17 January 2008
Sasha Omanovic tells PCCP about his hot paper
Hot Article: Photopolymerization of diacetylene-capped gold nanoparticles
10 April 2008
Giovanna Dellepiane talks about her latest PCCP paper.
Hot Paper: Oxidation and reactivity of nitrogen and phosphorus doped heterofullerenes
17 March 2008
Chris Ewels tells PCCP about this Communication
Hot Article: Oxygen diffusion in nanocrystalline yttria-stabilized zirconia: the effect of grain boundaries
02 April 2008
Roger De Souza talks about his latest PCCP paper.
Hot Article: Vibrational distribution in NO(X2) formed by self quenching of NO A 2+ (v = 0)
16 May 2008
Gus Hancock talks about his latest PCCP Communication.
Hot Article: First acid dissociation at an aqueous H2SO4 interface with sum frequency generation spectroscopy
02 April 2008
Takayuki Miyamae talks about his latest PCCP paper.
Hot Article: Textile electrodes as substrates for the electrodeposition of porous ZnO
26 March 2008
Derck Schlettwein and co-workers have used metal-coated polyamide threads and filaments as substrate electrodes to deposit highly porous ZnO films for photovoltaic application.
Hot Paper: Surface characterization of platinum electrodes
16 May 2008
In this Perspective Feliu and co-workers review different protocols in order to gain information about different surface sites on the surface of Pt nanoparticles.
Nanoscale structure and dynamics of DNA
16 May 2008
In this Perspective Catherine Murphy and colleagues investigate local structural variations and nanoscale motions in DNA
Hot Paper: Electrochemical impedance spectroscopy of mixed conductors under a chemical potential gradient: A case study of Pt|SDC|BSCF
17 January 2008
Sossina Haile discusses her latest PCCP paper
Hot Paper: "Imaging" Combustion Chemistry via Multiplexed Synchrotron-Photoionization Mass Spectrometry
17 January 2008
In this Perspective, Taatjes and co-workers offer an overview of flame chemistry and chemical kinetics measurements combining tunable photoionization with multiple-mass detection.
Hot Paper: Dynamic Imaging of Molecules using High Order Harmonic Generation
07 January 2008
Jon P Marangos tells PCCP about his Perspective Article
Hot Paper: Evidence of a water layer in solid-contact polymeric ion sensors
17 January 2008
Roland De Marco tells PCCP about his Communication
Hot Paper: The structure of protonated acetone and its dimer: Infrared photodissociation spectroscopy from 800 to 4000 cm-1
17 January 2008
Michael Duncan tells PCCP about his Communication
Hot Paper: Experimental and theoretical study of the microsolvation of sodium atoms in methanol clusters: Differences and similarities to sodium/water and sodium/ ammonia
17 January 2008
Thomas Zeuch talks about his latest PCCP paper
Hot Paper: Electronic spectra of radicals in a supersonic slit-jet discharge by degenerate and two-color four-wave mixing
17 January 2008
Maier et al. have used four-wave mixing techniques for the measurement of electronic transitions of cold transient species.
PCCP HOT papers published in 2007
In-depth articles & author interviews about very highly-rated PCCP papers published in 2007
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