Journal of Physical Chemistry, 2002, V 106, N 18, May 09.
ARTICLES
DYNAMICS AND RELAXATION
Solvation Dynamics of Coumarin-153 in a Room-Temperature Ionic Liquid
Rana Karmakar and Anunay Samanta
pp 4447 - 4452;
Spin Effects on Decay Dynamics of Charge-Separated States Generated by
Photoinduced Electron Transfer in Zinc Porphyrin-Naphthalenediimide Dyads
Yukie Mori, Yoshio Sakaguchi, and Hisaharu Hayashi
pp 4453 - 4467;
Effect of Molecular Additives on Electron Mobility and Electron-Ion
Recombination Rate Constant in Dense Gaseous Krypton
Mariusz Wojcik and M. Tachiya
pp 4468 - 4475;
Experimental NMRD Profiles for Some Low-Symmetry Ni(II) Complexes (S = 1) in
Solution and Their Interpretation Using Slow-Motion Theory
Tomas Nilsson, Giacomo Parigi, and Jozef Kowalewski
pp 4476 - 4488;
From Molecular Complexes to Zwitterions and Final Products. Reactions between
C3O2 and Amines
Bintou Sessouma, Isabelle Couturier-Tamburelli, Maurice Monnier, Ming Wah Wong,
Curt Wentrup, and Jean Pierre Aycard
pp 4489 - 4497;
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
Behavior of Silicon and Germanium Clusters on a C60 Fullerene
M. Ohara, Y. Nakamura, Y. Negishi, K. Miyajima, A. Nakajima, and K. Kaya
pp 4498 - 4501;
Matrix-Isolation FT-IR Study and Theoretical Calculations of the Hydrogen-Bond
Interaction of Hypoxanthine with H2O
Riet Ramaekers, Ahmed Dkhissi, Ludwik Adamowicz, and Guido Maes
pp 4502 - 4512;
Time-Resolved Resonance Raman Spectroscopic Studies on the Radical Anions of
Methyl-1,4-benzoquinone and 2,6-Dimethyl-1,4-benzoquinone
Himansu Mohapatra and Siva Umapathy
pp 4513 - 4518;
Metal-to-Ligand Charge Transfer Excited-State
(CO) Shifts in Rigid Media
Dana M. Dattelbaum and Thomas J. Meyer
pp 4519 - 4524;
Reaction of Benzene Molecule on Size-Selected Nickel Cluster Ions
Tetsu Hanmura, Masahiko Ichihashi, and Tamotsu Kondow
pp 4525 - 4528;
Infrared Photodissociation Spectroscopy of Protonated Formic Acid-Water Binary
Clusters, H+·(HCOOH)n·H2O (n = 1-5). Spectroscopic Study of Ion Core Switch
Model and Magic Number
Yoshiya Inokuchi and Nobuyuki Nishi
pp 4529 - 4535;
FTIR Investigation of the Fluorocyclohexane Ring Inversion in Liquid Kr
Alexandr I. Fishman, Wouter A. Herrebout, and Benjamin J. van der Veken
pp 4536 - 4542;
Fragmentation Chemistry of DMSO Complexes of Metal Dications
Alexandre A. Shvartsburg and Jon G. Wilkes
pp 4543 - 4551;
Effect of Solute-Solvent Compatibility on Total Luminescence Spectra of Perylene
in Shpol'skii Matrixes at Liquid Helium Temperature
Krystyna Palewska, Jo'zef Lipiski, Tomasz Misiaszek, and Juliusz Sworakowski
pp 4552 - 4557;
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
Kinetics and Mechanism of HO2 Uptake on Solid NaCl
R. G. Remorov, Yu. M. Gershenzon, L. T. Molina, and M. J. Molina
pp 4558 - 4565;
Continuous Measurements of the Water Activities of Aqueous Droplets of Water-
Soluble Organic Compounds
Man Yee Choi and Chak K. Chan
pp 4566 - 4572;
Evidence for Scission in the Oxidation of Amino Acids
Pawel Wisniowski, Ian Carmichael, Richard W. Fessenden, and Gordon L. Hug
pp 4573 - 4580;
Gas-Phase Reactions of Transition-Metal Ions with Molecular Oxygen: Room-
Temperature Kinetics and Periodicities in Reactivity
Gregory K. Koyanagi, Doina Caraiman, Voislav Blagojevic, and Diethard K. Bohme
pp 4581 - 4590;
Femtosecond Multicolor Pump-Probe Study of Ultrafast Electron Transfer of
[(NH3)5RuIIINCRuII(CN)5]- in Aqueous Solution
Dong Hee Son, Patanjali Kambhampati, Tak W. Kee, and Paul F. Barbara
pp 4591 - 4597;
The Selective OH Radical Oxidation of Sorbitylfurfural: A Combined Experimental
and Theoretical Study
Salvatore S. Emmi, Mila D'Angelantonio, Gabriella Poggi, Marialuisa Russo,
Giancarlo Beggiato, and Bo Larsen
pp 4598 - 4607;
Thermally Stable Sites for Electron Capture in Directly Ionized DNA: Free
Radicals Produced by the Net Gain of Hydrogen at C5/C6 of Cytosine and Thymine
in Crystalline Oligodeoxynucleotides
Michael G. Debije and William A. Bernhard
pp 4608 - 4615;
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
An ab Initio Study of the Reaction of Propargyl Cation with Ammonia
Ramo'n Lo'pez, Emma del Ri'o, M. Isabel Mene'ndez, and Toma's L. Sordo
pp 4616 - 4622;
A PW91 Density Functional Study of Conformational Choice in 2-Phenylethanol,
n-Butylbenzene, and Their Cations: Problems for Density Functional Theory?
Matthew D. Patey and Caroline E. H. Dessent
pp 4623 - 4631;
Global Hardness Evaluation Using Simplified Models for the Hardness Kernel
Miquel Torrent-Sucarrat, Miquel Duran, and Miquel Sola`
pp 4632 - 4638;
On the Stability of N5+N5-
Stefan Fau, Kenneth J. Wilson, and Rodney J. Bartlett
pp 4639 - 4644;
Quantum Chemical and Conventional Transition-State Theory Calculations of Rate
Constants for the NO3 + Alkane Reaction
Graciela Bravo-Pe'rez, J. Rau'l Alvarez-Idaboy, Armando Cruz-Torres, and Ma.
Esther Rui'z
pp 4645 - 4650;
An Experimental Determination of the Cr-DMB (DMB = 3,3-Dimethyl-1-butene) Bond
Energy in Cr(CO)5(DMB): Effects of Alkyl Substitution on Chromium-Olefin Bond
Energies in Cr(CO)5(olefin) Complexes
David L. Ceden~o and Eric Weitz
pp 4651 - 4660;
Competition between X···H···Y Intramolecular Hydrogen Bonds and X····Y (X = O,
S, and Y = Se, Te) Chalcogen-Chalcogen Interactions
Pablo Sanz, Manuel Ya'n~ez, and Otilia Mo'
pp 4661 - 4668;
Effects of Hydrogen Bonding to Amines on the Phenol/Phenoxyl Radical Oxidation
Ying Fang, Lei Liu, Yong Feng, Xiao-Song Li, and Qing-Xiang Guo
pp 4669 - 4678;
Optimization of Conical Intersections with Floating Occupation Semiempirical
Configuration Interaction Wave Functions
A. Toniolo, M. Ben-Nun, and T. J. Marti'nez
pp 4679 - 4689;
5-N5- -Metal- 7-N73-: A New Class of Compounds
Laura Gagliardi and Pekka Pyykko"
pp 4690 - 4694;
Blue-Shifting Hydrogen Bonds
Kersti Hermansson
pp 4695 - 4702;
Temporary Anion States of closo-Carboranes and Diethyl Carborane
K. Aflatooni, G. A. Gallup, and P. D. Burrow
pp 4703 - 4708;
A Theoretical Study of Excited State Properties of Adenine-Thymine and Guanine-
Cytosine Base Pairs
M. K. Shukla and Jerzy Leszczynski
pp 4709 - 4717;
Intramolecular Bonding and Charge Distributions in XO4 (X = Si, P, S, Cl and Ge,
As, Se, Br) Oxyanions from Topological Analyses of the Electron Density
Jean-Franc,ois Boily
pp 4718 - 4724;
Heats of Formation of CBr, CHBr, and CBr2 from Ab Initio Quantum Chemistry
David A. Dixon, W.A. de Jong, Kirk A. Peterson, and Joseph S. Francisco
pp 4725 - 4728;
Theoretical Analysis of the Electron Spin Density Distribution of the Flavin
Semiquinone Isoalloxazine Ring within Model Protein Environments
Jose' I. Garci'a, Milagros Medina, Javier Sancho, Pablo J. Alonso, Carlos
Go'mez-Moreno, Jose' A. Mayoral, and Jesu's I. Marti'nez
pp 4729 - 4735;
Nonclassical Pathways for Silsesquioxane Growth
Karl Jug and Igor P. Gloriozov
pp 4736 - 4744;
Theoretical Study of the Mechanism and Kinetics of Gas-Phase Ozone Additions to
Ethene, Fluoroethene, and Chloroethene: A Multireference Approach
Ivan Ljubi and Aleksandar Sablji
pp 4745 - 4757;
GENERAL PHYSICAL CHEMISTRY
Redox and Acidity Properties of 2,2'- and 4,4'-Biphenol and the Corresponding Phenoxyl Radicals
Mats Jonsson, Johan Lind, and Ga'bor Mere'nyi
pp 4758 - 4762;
Influence of the Structure of the Amino Group and Polarity of the Medium on the
Photophysical Behavior of 4-Amino-1,8-naphthalimide Derivatives
Satyen Saha and Anunay Samanta
pp 4763 - 4771;
Reduction of Cobalt and Iron Corroles and Catalyzed Reduction of CO2
Jan Grodkowski, Pedatsur Neta, Etsuko Fujita, Atif Mahammed, Liliya Simkhovich,
and Zeev Gross
pp 4772 - 4778;
Cluster Structures in Aqueous HNO3 and H2SO4 Solutions: In Relation with
Equivalent Conductivity
Hitomi Kobara, Akihiro Wakisaka, Koji Takeuchi, and Takashi Ibusuki
pp 4779 - 4783;
Electron Transfer Reactions of C-shaped Molecules in Alkylated Aromatic
Solvents: Evidence that the Effective Electronic Coupling Magnitude Is
Temperature-Dependent
Andrew M. Napper, Ian Read, David H. Waldeck, Ruth W. Kaplan, and Matthew B. Zimmt
pp 4784 - 4793;
ADDITIONS AND CORRECTIONS
New Insights in Chemical Reactivity by Means of Electron Pairing Analysis
Jordi Poater, Miquel Sola`, Miqel Duran, and XavierFradera:
pp 4794 - 4794;