Journal of Physical Chemistry, 2002, V 106, N 40, October.

Journal of Physical Chemistry, 2002, V 106, N 40, October 10.

LETTERS

Quasi-Chemical Theory and the Standard Free Energy of H+(aq)
Paul Grabowski, Demian Riccardi, Maria A. Gomez, D. Asthagiri,
and Lawrence R. Pratt
pp 9145 - 9148; (

ARTICLES

DYNAMICS AND RELAXATION

Tuning the Charge-Separated Lifetimes of Ruthenium(II)polypyridyl-Viologen Dyads
And Ruthenium(II)polypyridyl-Viologen Triads by the Formation of Supramolecular
Assemblies with Crown Ethers
Volker Schild, Dietmar van Loyen, Heinz Dürr, Henri Bouas-Laurent,
Claudia Turro, Michael Wörner, Megh Raj Pokhrel, and Stefan H. Bossmann
pp 9149 - 9158;

Rotational Friction Kernel in Water from the Femtosecond Time-Resolved Optical
Kerr Effect of Acetonitrile/Water Mixtures
Niko P. Ernsting, George M. Photiadis, Horst Hennig, and Thomas Laurent
pp 9159 - 9173;

Vibrational Normal Modes of Polymer Nanoparticle Dimers Using the Time-Averaged
Normal Coordinate Analysis Method
Bryan C. Hathorn, Bobby G. Sumpter, Donald W. Noid, Robert E. Tuzun, and Chao Yang
pp 9174 - 9180;

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

A REMPI and ZEKE Spectroscopic Study of a Secondary Amide Group in Acetanilide
Susanne Ullrich and Klaus Müller-Dethlefs
pp 9181 - 9187;

A REMPI and ZEKE Spectroscopic Study of trans-Acetanilide·H2O and Comparison to
Ab Initio CASSCF Calculations
Susanne Ullrich and Klaus Müller-Dethlefs
pp 9188 - 9195;

Normal Vibrational Mode Analysis and Assignment of Benzimidazole by ab Initio
and Density Functional Calculations and Polarized Infrared and Raman
Spectroscopy
M. A. Morsy, M. A. Al-Khaldi, and A. Suwaiyan
pp 9196 - 9203;

Analysis of Gas-Phase Clusters Made from Laser-Vaporized Icosahedral Al-Pd-Mn
J. A. Barrow, D. J. Sordelet, M. F. Besser, C. J. Jenks, P. A. Thiel,
E. F. Rexer, and S. J. Riley
pp 9204 - 9208;

The Effect of Pressure and of Controlled Stretch on the Luminescent Properties
Of 9,10-Bis(phenylethynyl) Anthracene
A. Zhu, J. O. White, and H. G. Drickamer
pp 9209 - 9212;

Matrix Infrared Spectra and DFT Calculations of the Reactive MHx (x = 1, 2, and
3), (H2)MH2, MH2+, and MH4- (M = Sc, Y, and La) Species
Xuefeng Wang, George V. Chertihin, and Lester Andrews
pp 9213 - 9225;

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

Uptake and Reaction of ClONO2 on Water Ice and HCl Trihydrate at Low Temperatures
J. Harnett, S. Haq, and A. Hodgson
pp 9226 - 9232;

A Shock Tube Study of the Product Branching Ratio of the NH2 + NO Reaction at
High Temperatures
Soonho Song, Ronald K. Hanson, Craig T. Bowman, and David M. Golden
pp 9233 - 9235;

Photochromism of 2H-Naphtho[1,2-b]pyrans: A Spectroscopic Investigation
Steffen Jockusch, Nicholas J. Turro, and Forrest R. Blackburn
pp 9236 - 9241;

Photophysical Properties of Homometallic Ruthenium(II) and Osmium(II) Complexes
with a Bis(dipyridophenazine) Bridging Ligand. From Pico- to Microsecond Time
Resolution
Mara Staffilani, Peter Belser, Frantiek Hartl, Cornelis J. Kleverlaan, and Luisa De Cola
pp 9242 - 9250;

Spectral, Kinetics, and Theoretical Studies of Radical Cations Derived from
Thioanisole and Its Carboxylic Derivative
Anna Korzeniowska-Sobczuk, Gordon L. Hug, Ian Carmichael, and Krzysztof Bobrowski
pp 9251 - 9260;

Thionyl Fluoride from Sulfur Hexafluoride Corona Discharge Decomposition: Gas-
Phase Chemistry of [SOF2]H+ Ions
Federico Pepi, Andreina Ricci, Marco Di Stefano, Marzio Rosi, and Giuseppe ]D'Arcangelo
pp 9261 - 9266;

From the Time-Dependent, Multiple-Well Master Equation to Phenomenological Rate
Coefficients
Stephen J. Klippenstein and James A. Miller
pp 9267 - 9277;

Isomerization of Dihydrobenzofuran and Isodihydrobenzofuran. Quantum Chemical
and Kinetics Calculations
Faina Dubnikova and Assa Lifshitz
pp 9278 - 9283;

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

Theoretical Study on the Rearrangement between the Isomers of C60X (X = O and S)
Xiufang Xu, Zhenfeng Shang, Guichang Wang, Zunsheng Cai, Yinming Pan, and
Xuezhuang Zhao
pp 9284 - 9289;

Anharmonic Force Field and Vibrational Spectra of Perfluoromethanimine CF2NF
Philippe Carbonniere, Didier Begue, and Claude Pouchan
pp 9290 - 9293;

Theoretical Investigation of the Ground and Excited States of Coumarin 151 and
Coumarin 120
Robert J. Cave, Kieron Burke, and Edward W. Castner, Jr.
pp 9294 - 9305;

Gas-Phase Chemistry of Ethyl and Vinyl Amines, Phosphines, and Arsines: A DFT
Study of the Structure and Stability of Their Cu+ Complexes
L. Galiano, M. Alcamí, O. Mó, and M. Yáñez
pp 9306 - 9312;

199Hg Shielding Tensor in Methylmercury Halides: NMR Experiments and ZORA DFT
Calculations
Jukka Jokisaari, Sami Järvinen, Jochen Autschbach, and Tom Ziegler
pp 9313 - 9318;

Unnatural Covalent DNA Base Pairing: Quantum Chemical Study
Eugene S. Kryachko and Minh Tho Nguyen
pp 9319 - 9324;

Ab Initio Study of the Structural, Energetic, Bonding, and IR Spectroscopic
Properties of Complexes with Dihydrogen Bonds
Ibon Alkorta, José Elguero, Otilia Mó, Manuel Yáñez, and Janet E. Del Bene
pp 9325 - 9330;

One-Bond (1dJH-H) and Three-Bond (3dJX-M) Spin-Spin Coupling Constants Across
X-H···H-M Dihydrogen Bonds
Janet E. Del Bene, S. Ajith Perera, Rodney J. Bartlett, Ibon Alkorta, José
Elguero, Otilia Mó, and Manuel Yáñez
pp 9331 - 9337;

Six-Dimensional Energy-Switching Potential Energy Surface for HeHCN
Wazir-ul H. Ansari and António J. C. Varandas
pp 9338 - 9344;

Energetics of the Radical Ions of the AT and AU Base Pairs: A Density Functional
Theory (DFT) Study
Xifeng Li, Zhongli Cai, and M. D. Sevilla
pp 9345 - 9351;

GENERAL PHYSICAL CHEMISTRY

Hydrogen Peroxide Production in the Radiolysis of Water with High Radical
Scavenger Concentrations
Akihiro Hiroki, Simon M. Pimblott, and Jay A. LaVerne
pp 9352 - 9358;

Reactions between Glycolic Acid and Cu+ in the Gas Phase. An Experimental and
Theoretical Study
Laurence Boutreau, Pierre Toulhoat, Jeanine Tortajada, Alberto Luna, Otilia Mó, and Manuel Yáñez
pp 9359 - 9368;