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Physical Chemistry: Current Research Articles


 
Current Articles in the field of Physical Chemistry published online in scientific journals.

The author- or copyrights of the listed research articles below are held by the respective authors or site operators, who are also responsible for the content of the presentations.

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On this page considered biochemistry journals:


The Journal of Physical Chemistry A - published by The American Chemical Society -
Publishing research on dynamics; clusters, excited states; kinetics; spectroscopy; atmospheric, environmental and green chemistry; molecular structure; quantum chemistry; and general theory.

PCCP - published by The Royal Society of Chemistry -
An international journal for the fastest publication of high-quality original work in physical chemistry, chemical physics and biophysical chemistry.



Current research articles of the mentioned journals:


Journal of Physical Chemistry A

Journal of Physical Chemistry A, Volume 112 Issue 30 (July 31, 2008) is now available

Source: Journal of Physical Chemistry A | 31 Jul 2008 | 6:00 am CEST

A Comprehensive Conformational Analysis of Bullacin B, a Potent Inhibitor of Complex I. Molecular Dynamics Simulations and Ab Initio Calculations

José A. Bombasaro, Marcelo F. Masman, Luis N. Santágata, Mónica L. Freile, Ana M. Rodríguez, and Ricardo D. Enriz
Web Release Date: Thu, 24 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp801962x

Source: Journal of Physical Chemistry A | 24 Jul 2008 | 6:00 am CEST

Accurate ab Initio Structure, Dissociation Energy, and Vibrational Spectroscopy of the F−−CH4 Anion Complex

Gábor Czakó, Bastiaan J. Braams, and Joel M. Bowman
Web Release Date: Thu, 24 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp803318a

Source: Journal of Physical Chemistry A | 24 Jul 2008 | 6:00 am CEST

Tuning the shape of nanoparticles to control their catalytic properties: selective hydrogenation of 1,3-butadiene on Pd/Al2O3

Laurent Piccolo, Ana Valcarcel, Marta Bausach, Cecile Thomazeau, Denis Uzio, Gilles Berhault
(Communication from Phys. Chem. Chem. Phys.)
Laurent Piccolo, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b809651a
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Source: RSC - Phys. Chem. Chem. Phys. latest articles | 24 Jul 2008 | 12:00 am CEST

Temperature stability and photodimerization kinetics of [small beta]-cinnamic acid and comparison to its [small alpha]-polymorph as studied by solid-state NMR spectroscopy techniques and DFT calculations

I. Fonseca, S. E. Hayes, B. Blumich, M. Bertmer
(Paper from Phys. Chem. Chem. Phys.)
I. Fonseca, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b806861e
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Source: RSC - Phys. Chem. Chem. Phys. latest articles | 24 Jul 2008 | 12:00 am CEST

Effects of relative humidity and CO(g) on the O3-initiated oxidation reaction of Hg0(g): kinetic & product studies

Graydon Snider, Farhad Raofie, Parisa A. Ariya
(Paper from Phys. Chem. Chem. Phys.)
Graydon Snider, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b801226a
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The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles | 24 Jul 2008 | 12:00 am CEST

Theoretical exploration of the cooperative effect in NMF-NMF-amino acid residue hydrogen bonding system

Xichen Li, Wenlan Liu, Kening Sun, Yan Wang, Hongwei Tan, Guangju Chen
(Paper from Phys. Chem. Chem. Phys.)
Xichen Li, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b804291h
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Source: RSC - Phys. Chem. Chem. Phys. latest articles | 24 Jul 2008 | 12:00 am CEST

Effects of natural convection on thermal explosion in a closed vessel

Ting-Yueh Liu, Alasdair N. Campbell, Silvana S. S. Cardoso, Allan N. Hayhurst
(Paper from Phys. Chem. Chem. Phys.)
Ting-Yueh Liu, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b808222g
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Source: RSC - Phys. Chem. Chem. Phys. latest articles | 24 Jul 2008 | 12:00 am CEST

H2S Gas Interaction with Pt(II)-Containing Polymetallaynes of Selected Chain Length: An XPS and EXAFS Study

Chiara Battocchio, Ilaria Fratoddi, Maria Vittoria Russo, and Giovanni Polzonetti
Web Release Date: Wed, 23 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp803119j

Source: Journal of Physical Chemistry A | 23 Jul 2008 | 6:00 am CEST

Tuning Aryl, Hydrazine Radical Cation Electronic Interactions Using Substitutent Effects

Guadalupe Valverde-Aguilar, Xianghuai Wang, Edward Plummer, Jenny V. Lockard, Jeffrey I. Zink, Yun Luo, Michael N. Weaver, and Stephen F. Nelsen
Web Release Date: Wed, 23 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp7120005

Source: Journal of Physical Chemistry A | 23 Jul 2008 | 6:00 am CEST

Rate Constants and Hydrogen Isotope Substitution Effects in the CH3 + HCl and CH3 + Cl2 Reactions

Arkke J. Eskola, Raimo S. Timonen, Paul Marshall, Evgeni N. Chesnokov, and Lev N. Krasnoperov
Web Release Date: Wed, 23 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp801999w

Source: Journal of Physical Chemistry A | 23 Jul 2008 | 6:00 am CEST

31P Chemical Shift of Adsorbed Trialkylphosphine Oxides for Acidity Characterization of Solid Acids Catalysts

Anmin Zheng, Shing-Jong Huang, Wen-Hua Chen, Pei-Hao Wu, Hailu Zhang, Huang-Kuei Lee, Louis-Charles de Ménorval, Feng Deng, and Shang-Bin Liu
Web Release Date: Wed, 23 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp8027319

Source: Journal of Physical Chemistry A | 23 Jul 2008 | 6:00 am CEST

Breathing Orbital Valence Bond Method in Diffusion Monte Carlo: C−H Bond Dissociation of Acetylene

Dominik Domin, Benoît Braïda, and William A. Lester Jr.
Web Release Date: Wed, 23 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp8020062

Source: Journal of Physical Chemistry A | 23 Jul 2008 | 6:00 am CEST

Modulation of the Refractive Index by Photoisomerization of Diarylethenes: Theoretical Modeling

Guido Callierotti, Andrea Bianco, Chiara Castiglioni, Chiara Bertarelli, and Giuseppe Zerbi
Web Release Date: Wed, 23 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp8032929

Source: Journal of Physical Chemistry A | 23 Jul 2008 | 6:00 am CEST

Convective Instability in a Liquid−Liquid System Due to Complexation with a Crown Ether

Ronny Sczech, Kerstin Eckert, and Margret Acker
Web Release Date: Wed, 23 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp803011b

Source: Journal of Physical Chemistry A | 23 Jul 2008 | 6:00 am CEST

Theoretical Study on the Gas-Phase Acidity of Multiple Sites of Cu+−Adenine and Cu2+−Adenine Complexes

Dianxiang Xing, Xuejie Tan, Xiaohua Chen, and Yuxiang Bu
Web Release Date: Wed, 23 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp800256v

Source: Journal of Physical Chemistry A | 23 Jul 2008 | 6:00 am CEST

Rate Coefficients for the Reactions of C2(a3Πu) and C2(X1Σg+) with Various Hydrocarbons (CH4, C2H2, C2H4, C2H6, and C3H8): A Gas-Phase Experimental Study over the Temperature Range 24−300 K

Alejandra Páramo, André Canosa, Sébastien D. Le Picard, and Ian R. Sims
Web Release Date: Wed, 23 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp8025336

Source: Journal of Physical Chemistry A | 23 Jul 2008 | 6:00 am CEST

Structure-Energy Relationship in Barbituric Acid: A Calorimetric, Computational, and Crystallographic Study

María Victoria Roux, Manuel Temprado, Rafael Notario, Concepción Foces-Foces, Vladimir N. Emel’yanenko, and Sergey P. Verevkin
Web Release Date: Wed, 23 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp803370u

Source: Journal of Physical Chemistry A | 23 Jul 2008 | 6:00 am CEST

On "the complete basis set limit" and plane-wave methods in first-principles simulations of water

Susan B. Rempe, Thomas R. Mattsson, K. Leung
(Communication from Phys. Chem. Chem. Phys.)
Susan B. Rempe, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b810017a
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Source: RSC - Phys. Chem. Chem. Phys. latest articles | 23 Jul 2008 | 12:00 am CEST

Raman spectra of complexes of HNO3 and NO3- with NO2 at surfaces and with N2O4 in solution

Michael A. Kamboures, Wytze van der Veer, R. Benny Gerber, Leon F. Phillips
(Paper from Phys. Chem. Chem. Phys.)
Michael A. Kamboures, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b810081k
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The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles | 23 Jul 2008 | 12:00 am CEST

A theoretical study of medium effects on the structure of the glycine analogue aminomethylphosphonic acid

Nassera Benbrahim, Ali Rahmouni, Manuel F. Ruiz-Lopez
(Paper from Phys. Chem. Chem. Phys.)
Nassera Benbrahim, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b804694h
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The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles | 23 Jul 2008 | 12:00 am CEST

Gas hydrate nucleation and cage formation at a water/methane interface

Robert W. Hawtin, David Quigley, P. Mark Rodger
(Paper from Phys. Chem. Chem. Phys.)
Robert W. Hawtin, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b807455k
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The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles | 23 Jul 2008 | 12:00 am CEST

N-Dependence problem of local hardness parameter

Soumen Saha, Ram Kinkar Roy
(Paper from Phys. Chem. Chem. Phys.)
Soumen Saha, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b802966k
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The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles | 23 Jul 2008 | 12:00 am CEST

Gas phase hydration of organic ions

Paul O. Momoh, M. Samy El-Shall
(Paper from Phys. Chem. Chem. Phys.)
Paul O. Momoh, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b809440n
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The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles | 23 Jul 2008 | 12:00 am CEST

Characterization of nanoparticles in diluted clear solutions for Silicalite-1 zeolite synthesis using liquid 29Si NMR, SAXS and DLS

L. R. A. Follens, A. Aerts, M. Haouas, T. P. Caremans, B. Loppinet, B. Goderis, J. Vermant, F. Taulelle, J. A. Martens, C. E. A. Kirschhock
(Paper from Phys. Chem. Chem. Phys.)
L. R. A. Follens, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b805520c
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The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles | 23 Jul 2008 | 12:00 am CEST

Synthesis and infrared characterization of Br-HBr and Br-DBr entrance channel complexes in solid parahydrogen

Sharon C. Kettwich, Laura F. Pinelo, David T. Anderson
(Paper from Phys. Chem. Chem. Phys.)
Sharon C. Kettwich, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b806276e
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Source: RSC - Phys. Chem. Chem. Phys. latest articles | 23 Jul 2008 | 12:00 am CEST

Aqueous solutions of ionic liquids: study of the solution/vapor interface using molecular dynamics simulations

Jan Picalek, Babak Minofar, Jiri Kolafa, Pavel Jungwirth
(Paper from Phys. Chem. Chem. Phys.)
Jan Picalek, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b806205f
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The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles | 23 Jul 2008 | 12:00 am CEST

Thermally induced mixing of water dominated interstellar ices

Daren J. Burke, Angela J. Wolff, John L. Edridge, Wendy A. Brown
(Paper from Phys. Chem. Chem. Phys.)
Daren J. Burke, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b807220e
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Source: RSC - Phys. Chem. Chem. Phys. latest articles | 23 Jul 2008 | 12:00 am CEST

Nuclear quadrupole hyperfine structure in HC14N/H14NC and DC15N/D15NC isomerization: a diagnostic tool for characterizing vibrational localization

Bryan M. Wong
(Paper from Phys. Chem. Chem. Phys.)
Bryan M. Wong, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b807672c
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Source: RSC - Phys. Chem. Chem. Phys. latest articles | 23 Jul 2008 | 12:00 am CEST

Quasi-classical trajectory study of the adiabatic reactions occurring on the two lowest-lying electronic states of the LiH2+ system

Ilaria Pino, Rocco Martinazzo, Gian Franco Tantardini
(Paper from Phys. Chem. Chem. Phys.)
Ilaria Pino, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b805750h
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The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles | 23 Jul 2008 | 12:00 am CEST

Controlling ZnO morphology for improved methanol steam reforming reactivity

Ayman M. Karim, Travis Conant, Abhaya K. Datye
(Paper from Phys. Chem. Chem. Phys.)
Ayman M. Karim, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b800009c
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The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles | 23 Jul 2008 | 12:00 am CEST

Photogeneration of metastable side-on N2 linkage isomers in [Ru(NH3)5N2]Cl2, [Ru(NH3)5N2]Br2 and [Os(NH3)5N2]Cl2

Dominik Schaniel, Theo Woike, Bernard Delley, Colette Boskovic, Hans-Ueli Gudel
(Paper from Phys. Chem. Chem. Phys.)
Dominik Schaniel, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b806933f
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The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles | 23 Jul 2008 | 12:00 am CEST

Shock Wave Induced Decomposition of RDX: Time-Resolved Spectroscopy

James E. Patterson, Zbigniew A. Dreger, Maosheng Miao, and Yogendra M. Gupta
Web Release Date: Tue, 22 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp800827b

Source: Journal of Physical Chemistry A | 22 Jul 2008 | 6:00 am CEST

Shock Wave Induced Decomposition of RDX: Quantum Chemistry Calculations

Maosheng Miao, Zbigniew A. Dreger, James E. Patterson, and Yogendra M. Gupta
Web Release Date: Tue, 22 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp8008282

Source: Journal of Physical Chemistry A | 22 Jul 2008 | 6:00 am CEST

Computational Model of Photocatalytic Water Splitting

Andrzej L. Sobolewski and Wolfgang Domcke
Web Release Date: Tue, 22 Jul 2008 00:00:00 EDT (Letter) DOI: 10.1021/jp803814x

Source: Journal of Physical Chemistry A | 22 Jul 2008 | 6:00 am CEST

Excited-State Solvation and Proton Transfer Dynamics of DAPI in Biomimetics and Genomic DNA

Debapriya Banerjee and Samir Kumar Pal
Web Release Date: Tue, 22 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp801778e

Source: Journal of Physical Chemistry A | 22 Jul 2008 | 6:00 am CEST

Quantum algorithm for obtaining the energy spectrum of molecular systems

Hefeng Wang, Sabre Kais, Alan Aspuru-Guzik, Mark R. Hoffmann
(Paper from Phys. Chem. Chem. Phys.)
Hefeng Wang, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b804804e
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The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles | 22 Jul 2008 | 12:00 am CEST

A ground-state-directed optimization scheme for the Kohn-Sham energy

Stinne Host, Branislav Jansik, Jeppe Olsen, Poul Jorgensen, Simen Reine, Trygve Helgaker
(Communication from Phys. Chem. Chem. Phys.)
Stinne Host, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b807639a
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The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles | 21 Jul 2008 | 12:00 am CEST

A macroscopic water structure based model for describing charging phenomena at inert hydrophobic surfaces in aqueous electrolyte solutions

Johannes Lutzenkirchen, Tajana Preocanin, Nikola Kallay
(Paper from Phys. Chem. Chem. Phys.)
Johannes Lutzenkirchen, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b807395c
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Source: RSC - Phys. Chem. Chem. Phys. latest articles | 21 Jul 2008 | 12:00 am CEST

Spectroscopic and computational evidence for SO2 ionization on 128 K ice surface

B. Jagoda-Cwiklik, J. P. Devlin, V. Buch
(Communication from Phys. Chem. Chem. Phys.)
B. Jagoda-Cwiklik, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b809839p
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Source: RSC - Phys. Chem. Chem. Phys. latest articles | 21 Jul 2008 | 12:00 am CEST

Solid-state phosphorus-31 NMR spectroscopy of a multiple-spin system: an investigation of a rhodium-triphosphine complex

Guy M. Bernard, Kirk W. Feindel, Roderick E. Wasylishen, T. Stanley Cameron
(Paper from Phys. Chem. Chem. Phys.)
Guy M. Bernard, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b803596b
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Source: RSC - Phys. Chem. Chem. Phys. latest articles | 21 Jul 2008 | 12:00 am CEST

Free-Radical Destruction of β-Lactam Antibiotics in Aqueous Solution

Weihua Song, Weisang Chen, William J. Cooper, John Greaves, and George E. Miller
Web Release Date: Sat, 19 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp803229a

Source: Journal of Physical Chemistry A | 19 Jul 2008 | 6:00 am CEST

Dynamics of Vibrational Overtone Excited Pyruvic Acid in the Gas Phase: Line Broadening through Hydrogen-Atom Chattering

Kaito Takahashi, Kathryn L. Plath, Rex T. Skodje, and Veronica Vaida
Web Release Date: Sat, 19 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp803225c

Source: Journal of Physical Chemistry A | 19 Jul 2008 | 6:00 am CEST

Origins of Stereoselectivity in the Diels−Alder Addition of Chiral Hydroxyalkyl Vinyl Ketones to Cyclopentadiene: A Quantitative Computational Study

Snezhana M. Bakalova and Jose Kaneti
Web Release Date: Sat, 19 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp803701y

Source: Journal of Physical Chemistry A | 19 Jul 2008 | 6:00 am CEST

Electrodecomposition in Subcritical Water Using o-Xylene as a Model for Benzene, Toluene, Ethylbenzene, and Xylene Pollutants

Feridoun Salak Asghari and Hiroyuki Yoshida
Web Release Date: Sat, 19 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp800452s

Source: Journal of Physical Chemistry A | 19 Jul 2008 | 6:00 am CEST

Site-Dependent Spectral Shifts in Core-to-π* Excitations of Pyridine Clusters

I. L. Bradeanu, N. Kosugi, R. Flesch, and E. Rühl
Web Release Date: Sat, 19 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp802068h

Source: Journal of Physical Chemistry A | 19 Jul 2008 | 6:00 am CEST

Microwave Spectrum, Conformation and Intramolecular Hydrogen Bonding of 2,2,2-Trifluoroethanethiol (CF3CH2SH)

Harald Møllendal
Web Release Date: Sat, 19 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp803481k

Source: Journal of Physical Chemistry A | 19 Jul 2008 | 6:00 am CEST

Calculated Band Profiles of the OH-Stretching Transitions in Water Dimer

Anna L. Garden, Lauri Halonen, and Henrik G. Kjaergaard
Web Release Date: Fri, 18 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp802001g

Source: Journal of Physical Chemistry A | 18 Jul 2008 | 6:00 am CEST

Relationship between the Broad OH Stretching Band of Methanol and Hydrogen-Bonding Patterns in the Liquid Phase

Keiichi Ohno, Takafumi Shimoaka, Nobuyuki Akai, and Yukiteru Katsumoto
Web Release Date: Fri, 18 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp800995m

Source: Journal of Physical Chemistry A | 18 Jul 2008 | 6:00 am CEST

Topological and Orbital-Based Mechanisms of the Electronic Stabilization of Bis(Diisopropylamino)Cyclopropenylidene

Lucius E. Johnson and Donald B. DuPré
Web Release Date: Fri, 18 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp802214u

Source: Journal of Physical Chemistry A | 18 Jul 2008 | 6:00 am CEST

Spectroscopic evidence of thermally induced metamorphosis in ethenylene-bridged periodic mesoporous organosilicas

Carl Vercaemst, James T. A. Jones, Yaroslav Z. Khimyak, Jose C. Martins, Francis Verpoort, Pascal Van Der Voort
(Communication from Phys. Chem. Chem. Phys.)
Carl Vercaemst, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b808630n
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Source: RSC - Phys. Chem. Chem. Phys. latest articles | 18 Jul 2008 | 12:00 am CEST

Dimer-induced stabilization of H adsorbate cluster on BN(0001) surface

Philippe F. Weck, Eunja Kim, Stephen H. Lepp, Naduvalath Balakrishnan, H. R. Sadeghpour
(Communication from Phys. Chem. Chem. Phys.)
Philippe F. Weck, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b809081p
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Source: RSC - Phys. Chem. Chem. Phys. latest articles | 18 Jul 2008 | 12:00 am CEST

Pure component spectral analysis of surface adsorbed species measured under real conditions. BTEM-DRIFTS study of CO and NO reaction over a Pd/[gamma]-Al2O3 catalyst

Srilakshmi Chilukoti, Feng Gao, Bruce G. Anderson, J. W. Hans Niemantsverdriet, Marc Garland
(Paper from Phys. Chem. Chem. Phys.)
Srilakshmi Chilukoti, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b806890a
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Source: RSC - Phys. Chem. Chem. Phys. latest articles | 18 Jul 2008 | 12:00 am CEST

Anomalously Large Difference in Dipole Moment of Isomers with Nearly Identical Thermodynamic Stability

Alexey B. Nadykto and Fangqun Yu
Web Release Date: Thu, 17 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp711803r

Source: Journal of Physical Chemistry A | 17 Jul 2008 | 6:00 am CEST

Neutral and Charged Excited States in Polar Organic Films: Origin of Unusual Electroluminescence in Tri-p-tolylamine-Based Hole Conductors

S. Mukhopadhyay, B. J. Topham, Z. G. Soos, and S. Ramasesha
Web Release Date: Thu, 17 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp8012078

Source: Journal of Physical Chemistry A | 17 Jul 2008 | 6:00 am CEST

Ground- and Excited-State Aromaticity and Antiaromaticity in Benzene and Cyclobutadiene

Peter B. Karadakov
Web Release Date: Thu, 17 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp8037335

Source: Journal of Physical Chemistry A | 17 Jul 2008 | 6:00 am CEST

Conformational Behavior of Cinchonidine Revisited: A Combined Theoretical and Experimental Study

Atsushi Urakawa, Daniel M. Meier, Heinz Rüegger,, and Alfons Baiker
Web Release Date: Thu, 17 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp803185j

Source: Journal of Physical Chemistry A | 17 Jul 2008 | 6:00 am CEST

Classical Trajectory Study of the Dynamics of the Reaction of Cl Atoms with Ethane

Stuart J. Greaves, Andrew J. Orr-Ewing, and Diego Troya
Web Release Date: Thu, 17 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp802347v

Source: Journal of Physical Chemistry A | 17 Jul 2008 | 6:00 am CEST

Spectroscopic Investigations of High-Power Laser-Induced Dielectric Breakdown in Gas Mixtures Containing Carbon Monoxide

Svatopluk Civiš, Dagmar Babánková, Jaroslav Cihelka, Petr Sazama, and Libor Juha
Web Release Date: Thu, 17 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp712011t

Source: Journal of Physical Chemistry A | 17 Jul 2008 | 6:00 am CEST

Conformationally Specific Vacuum Ultraviolet Mass-Analyzed Threshold Ionization Spectroscopy of Alkanethiols: Structure and Ionization of Conformational Isomers of Ethanethiol, Isopropanethiol, 1-Propanethiol, tert-Butanethiol, and 1-Butanethiol

Sunyoung Choi, Tae Yeon Kang, Kyo-Won Choi, Songhee Han, Doo-Sik Ahn, Sun Jong Baek, and Sang Kyu Kim
Web Release Date: Thu, 17 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp801559t

Source: Journal of Physical Chemistry A | 17 Jul 2008 | 6:00 am CEST

Collisional Deactivation of Ba 5d7p 3D1 by Noble Gases

John E. Smedley, Sarah K. Coulter, Edward J. Felton, and Kayla S. Zomlefer
Web Release Date: Thu, 17 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp8022327

Source: Journal of Physical Chemistry A | 17 Jul 2008 | 6:00 am CEST

Metal Speciation Dynamics in Monodisperse Soft Colloidal Ligand Suspensions

Jérôme F. L. Duval, José P. Pinheiro, and Herman P. van Leeuwen
Web Release Date: Thu, 17 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp709576j

Source: Journal of Physical Chemistry A | 17 Jul 2008 | 6:00 am CEST

Parallel and Coupled Perpendicular Transitions of RbCs 640 nm System: Mass-Resolved Resonance Enhanced Two-Photon Ionization in a Cold Molecular Beam

Yonghoon Lee, Youngjee Yoon, Sungyul Lee, Jin-Tae Kim, and Bongsoo Kim
Web Release Date: Thu, 17 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp803360w

Source: Journal of Physical Chemistry A | 17 Jul 2008 | 6:00 am CEST

Gaseous Rust: Thermochemistry of Neutral and Ionic Iron Oxides and Hydroxides in the Gas Phase

Detlef Schröder
Web Release Date: Thu, 17 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp8030804

Source: Journal of Physical Chemistry A | 17 Jul 2008 | 6:00 am CEST

Searching for Conical Intersections of Potential Energy Surfaces with the ONIOM Method: Application to Previtamin D

Michael J. Bearpark, Susan M. Larkin, and Thom Vreven
Web Release Date: Thu, 17 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp802204w

Source: Journal of Physical Chemistry A | 17 Jul 2008 | 6:00 am CEST

Theoretical Insights on the Electronic Properties of Eosin Y, an Organic Dye for Photovoltaic Applications

Sandrine Hazebroucq, Frédéric Labat, Daniel Lincot, and Carlo Adamo
Web Release Date: Thu, 17 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp8011624

Source: Journal of Physical Chemistry A | 17 Jul 2008 | 6:00 am CEST

Experimental and Ab Initio Dynamical Investigations of the Kinetics and Intramolecular Energy Transfer Mechanisms for the OH + 1,3-Butadiene Reaction between 263 and 423 K at Low Pressure

Deepali Vimal, Alexander B. Pacheco, Srinivasan S. Iyengar, and Philip S. Stevens
Web Release Date: Thu, 17 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp8003882

Source: Journal of Physical Chemistry A | 17 Jul 2008 | 6:00 am CEST

Infrared Spectra of the Sulfenic Ester CH3SOCH3 and Its Photodissociation Products in Solid Argon

Mohua Chen, Rongjing Yang, Renhu Ma, and Mingfei Zhou
Web Release Date: Thu, 17 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp803436m

Source: Journal of Physical Chemistry A | 17 Jul 2008 | 6:00 am CEST

Water confined in reverse micelles-probe tool in biomedical informatics

Florin Despa
(Paper from Phys. Chem. Chem. Phys.)
Florin Despa, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b805699b
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Source: RSC - Phys. Chem. Chem. Phys. latest articles | 17 Jul 2008 | 12:00 am CEST

Interfacial water structure at polymer gel/quartz interfaces investigated by sum frequency generation spectroscopy

Hidenori Noguchi, Minowa Hiroshi, Taiki Tominaga, Jian Ping Gong, Yoshihito Osada, Kohei Uosaki
(Paper from Phys. Chem. Chem. Phys.)
Hidenori Noguchi, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b807297n
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Source: RSC - Phys. Chem. Chem. Phys. latest articles | 17 Jul 2008 | 12:00 am CEST

On the Nature of the Intermediates and the Role of Chloride Ions in Pd-Catalyzed Allylic Alkylations: Added Insight from Density Functional Theory

Peter Fristrup, Mårten Ahlquist, David Tanner, and Per-Ola Norrby
Web Release Date: Wed, 16 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp801759z

Source: Journal of Physical Chemistry A | 16 Jul 2008 | 6:00 am CEST

Continuum Electrostatics for Electronic Structure Calculations in Bulk Amorphous Polymers: Application to Polylactide

James H. McAliley, Christopher P. O’Brien,, and David A. Bruce
Web Release Date: Wed, 16 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp712114q

Source: Journal of Physical Chemistry A | 16 Jul 2008 | 6:00 am CEST

Bond Multiplicity in Transition-Metal Complexes: Applications of Two-Electron Valence Indices

Artur Michalak, Roger L. DeKock, and Tom Ziegler
Web Release Date: Wed, 16 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp800139g

Source: Journal of Physical Chemistry A | 16 Jul 2008 | 6:00 am CEST

Resonance Raman Characterization of the Peroxo and Hydroperoxo Intermediates in Cytochrome P450

Ilia G. Denisov, Piotr J. Mak, Thomas M. Makris, Stephen G. Sligar, and James R. Kincaid
Web Release Date: Wed, 16 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp8017875

Source: Journal of Physical Chemistry A | 16 Jul 2008 | 6:00 am CEST

Melting behavior of water in cylindrical pores: carbon nanotubes and silica glasses

M. Sliwinska-Bartkowiak, M. Jazdzewska, L. L. Huang, K. E. Gubbins
(Paper from Phys. Chem. Chem. Phys.)
M. Sliwinska-Bartkowiak, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b808246d
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Source: RSC - Phys. Chem. Chem. Phys. latest articles | 16 Jul 2008 | 12:00 am CEST

Ion spatial distributions at the liquid-vapor interface of aqueous potassium fluoride solutions

Matthew A. Brown, Raffaella D'Auria, I.-F. William Kuo, Maria J. Krisch, David E. Starr, Hendrik Bluhm, Douglas J. Tobias, John C. Hemminger
(Paper from Phys. Chem. Chem. Phys.)
Matthew A. Brown, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b807041e
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The o-, m-, and p-benzyne radical cations: a theoretical study

Hua Li, Ming-Bao Huang
(Paper from Phys. Chem. Chem. Phys.)
Hua Li, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b805938a
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Source: RSC - Phys. Chem. Chem. Phys. latest articles | 16 Jul 2008 | 12:00 am CEST

Hydration water rotational motion as a source of configurational entropy driving protein dynamics. Crossovers at 150 and 220 K

J.-M. Zanotti, G. Gibrat, M.-C. Bellissent-Funel
(Paper from Phys. Chem. Chem. Phys.)
J.-M. Zanotti, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b808217k
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Average molecular orientations in the adsorbed water layers on silicon oxide in ambient conditions

Anna L. Barnette, David B. Asay, Seong H. Kim
(Paper from Phys. Chem. Chem. Phys.)
Anna L. Barnette, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b810309g
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Solvent structures of mixed water/acetonitrile mixtures at chromatographic interfaces from computer simulations

Jorg Braun, Antony Fouqueau, Raymond J. Bemish, Markus Meuwly
(Paper from Phys. Chem. Chem. Phys.)
Jorg Braun, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b807492e
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Source: RSC - Phys. Chem. Chem. Phys. latest articles | 15 Jul 2008 | 12:00 am CEST

Dipolar molecular rotors in the metal-organic framework crystal IRMOF-2

Erick B. Winston, Peter J. Lowell, Jaroslav Vacek, Jana Chocholousova, Josef Michl, John C. Price
(Communication from Phys. Chem. Chem. Phys.)
Erick B. Winston, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b808104b
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Multiscale effects in crystal grain growth and physical properties of metals

Michael Nosonovsky, Sven K. Esche
(Communication from Phys. Chem. Chem. Phys.)
Michael Nosonovsky, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b806357e
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Characterization of interfacial water in MOF-5 (Zn4(O)(BDC)3)-a combined spectroscopic and theoretical study

K. Schrock, F. Schroder, M. Heyden, R. A. Fischer, M. Havenith
(Paper from Phys. Chem. Chem. Phys.)
K. Schrock, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b807458p
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Aqueous divalent metal-nitrate interactions: hydration versus ion pairing

Man Xu, James P. Larentzos, Mazen Roshdy, Louise J. Criscenti, Heather C. Allen
(Paper from Phys. Chem. Chem. Phys.)
Man Xu, Phys. Chem. Chem. Phys., 2008, DOI: 10.1039/b807090n
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Evidence for Rydberg Doorway States in Photoion Pair Formation in Bromomethane

Trevor Ridley, John T. Hennessy, Robert J. Donovan, Kenneth P. Lawley, Shiliang Wang, Paul Brint, and Eoin Lane
Web Release Date: Sat, 12 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp8002036

Source: Journal of Physical Chemistry A | 12 Jul 2008 | 6:00 am CEST

Vibrational Relaxation of Highly Vibrationally Excited O3 in Collisions with OH

Lei Zhang, Pingya Luo, Zhiyu Huang, Hong Chen, and António J. C. Varandas
Web Release Date: Sat, 12 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp803686j

Source: Journal of Physical Chemistry A | 12 Jul 2008 | 6:00 am CEST

Intramolecular Excimer Formation and Photoinduced Electron-Transfer Process in Bis-1,8-Naphthalimide Dyads Depending on the Linker Length

Dae Won Cho, Mamoru Fujitsuka, Akira Sugimoto, and Tetsuro Majima
Web Release Date: Sat, 12 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp801983b

Source: Journal of Physical Chemistry A | 12 Jul 2008 | 6:00 am CEST

Coordination and Haptotropic Migration of Cr(CO)3 in Polycyclic Aromatic Hydrocarbons: The Effect of the Size and the Curvature of the Substrate

J. Oscar C. Jiménez-Halla, Juvencio Robles, and Miquel Solà
Web Release Date: Sat, 12 Jul 2008 00:00:00 EDT (Addition/Correction) DOI: 10.1021/jp805507t

Source: Journal of Physical Chemistry A | 12 Jul 2008 | 6:00 am CEST

Clustering Dynamics of the Metal−Benzene Sandwich Complex: The Role of Microscopic Structure of the Solute In the Bis(η6-benzene)chromium ·Arn Clusters (n = 1−15)

Kyo-Won Choi, Sunyoung Choi, Doo-Sik Ahn, Songhee Han, Tae Yeon Kang, Sun Jong Baek, and Sang Kyu Kim
Web Release Date: Sat, 12 Jul 2008 00:00:00 EDT (Letter) DOI: 10.1021/jp804601f

Source: Journal of Physical Chemistry A | 12 Jul 2008 | 6:00 am CEST

A VB/MM View of the Identity SN2 Valence-Bond State Correlation Diagram in Aqueous Solution

Avital Sharir-Ivry and Avital Shurki
Web Release Date: Sat, 12 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp801722e

Source: Journal of Physical Chemistry A | 12 Jul 2008 | 6:00 am CEST

Photophysics and Nonlinear Absorption of Peripheral-Substituted Zinc Phthalocyanines

Yunjing Li, Timothy M. Pritchett, Jiandong Huang, Meirong Ke, Pin Shao, and Wenfang Sun
Web Release Date: Fri, 11 Jul 2008 00:00:00 EDT (Article) DOI: 10.1021/jp7108835

Source: Journal of Physical Chemistry A | 11 Jul 2008 | 6:00 am CEST

The Effect and Influence of cis-Ligands on the Electronic and Oxidizing Properties of Nonheme Oxoiron Biomimetics. A Densit