Journal of Physical Chemistry, 2002, V 106, N 37, September 19.
LETTERS
Periodic-Orbit Analysis of Coherent Electron-Transfer Femtosecond Experiments
Stefan Dilthey and Gerhard Stock
pp 8483 - 8487;
A Singlet Oxygen Image with 2.5 m Resolution
Lars Klembt Andersen, Zhan Gao, Peter R. Ogilby, Lars Poulsen, and Ingo Zebger
pp 8488 - 8490;
Do Cooperative Proton-Hydride Interactions Explain the Gas-Solid Structural
Difference of BH3NH3?
Gabriel Merino, Vladimir I. Bakhmutov, and Alberto Vela
pp 8491 - 8494;
A Possible Reinterpretation of the Photoelectron Spectra of [CCl2]-, [CBr2]-,
and [CI2]-: A Role for Quartet Isodihalocarbene or Dihalocarbene Radical Anions?
Michael L. McKee and Josef Michl
pp 8495 - 8497;
ARTICLES
DYNAMICS AND RELAXATION
An Optical and Theoretical Investigation of the Ultrafast Dynamics of a
Bisthienylethene-Based Photochromic Switch
P. R. Hania, R. Telesca, L. N. Lucas, A. Pugzlys, J. van Esch, B. L. Feringa,
J. G. Snijders, and K. Duppen
pp 8498 - 8507;
Anti-Stokes Raman Study of Vibrational Cooling Dynamics in the Primary
Photochemistry of Rhodopsin
Judy E. Kim and Richard A. Mathies
pp 8508 - 8515;
Quantum Chemical Model of an SN2 Reaction in a Microwave Field
Shirzad Kalhori, Boris Minaev, Sharon Stone-Elander, and Nils Elander
pp 8516 - 8524;
Solvation Statics and Dynamics of Coumarin 153 in Hexane-Propionitrile Solvent
Mixtures
Tatiana Molotsky and Dan Huppert
pp 8525 - 8530;
Light-Induced Electron Spin Polarization of a Weakly Coupled Triplet-Doublet
Spin Pair in a Covalently Linked Porphyrin Dimer
Art van der Est, Motoko Asano-Someda, Paul Ragogna, and Youkoh Kaizu
pp 8531 - 8542;
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
Study of the Self-Association of Alcohols by Near-Infrared Spectroscopy and
Multivariate 2D Techniques
Laila Stordrange, Alfred A. Christy, Olav M. Kvalheim, Hailin Shen, and Yi-zeng Liang
pp 8543 - 8553;
An Infrared Study of -Hydrogen Bonds in Micro-solvated Phenol: OH Stretching
Vibrations of Phenol-X (X = C6H6, C2H4, and C2H2) Clusters in the Neutral and
Cationic Ground States
Asuka Fujii, Takayuki Ebata, and Naohiko Mikami
pp 8554 - 8560;
Coherent Anti-Stokes Raman Scattering Correlation Spectroscopy: Probing
Dynamical Processes with Chemical Selectivity
Ji-xin Cheng, Eric O. Potma, and Sunney X. Xie
pp 8561 - 8568;
Structural, Rotational, Vibrational, and Electronic Properties of Carbon Cluster
Anions Cn- (n = 3-13)
M. G. Giuffreda, M. S. Deleuze, and J.-P. Fran?ois
pp 8569 - 8582;
On the Reactions of Can+, Srn+, and Ban+ with Water and Alcohols
Victor A. Mikhailov, Glen Akibo-Betts, and Anthony J. Stace
pp 8583 - 8589;
Supersonic Jet Studies on the Photophysics of Substituted Benzenes and
Naphthalenes
Shuo Jiang and Donald H. Levy
pp 8590 - 8598;
Through Space Coupling and Fermi Resonances in Neopentane-d0, -d6, -d9, and
Tetramethylsilane
Michael W. P. Petryk and Bryan R. Henry
pp 8599 - 8608;
Conformations and Zero-Field Splittings in the Lowest Excited Triplet States of
meta- and para-Polyphenyl Molecules
Jiro Higuchi, Kazuyoshi Hayashi, Mikio Yagi, and Hiroshi Kondo
pp 8609 - 8618;
Microsolvation of Hg and Hg2+: Energetics of Hg·H2O, Hg2+·H2O and HgOH+
Pavel Sold?n, Edmond P. F. Lee, and Timothy G. Wright
pp 8619 - 8626;
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
Gas-Phase Reactions of Chlorine Atoms and ClO Radicals with Dimethyl Sulfide.
Rate Coefficients and Temperature Dependences
Y. D?az-de-Mera, A. Aranda, D. Rodr?guez, R. L?pez, B. Caba?as, and E. Mart?nez
pp 8627 - 8633;
A Study of the Recombination of IO with NO2 and the Stability of INO3:
Implications for the Atmospheric Chemistry of Iodine
B. J. Allan and J. M. C. Plane
pp 8634 - 8641;
Phototautomerism in Uracil: A Quantum Chemical Investigation
M. K. Shukla and Jerzy Leszczynski
pp 8642 - 8650;
Overtone-Induced Chemistry of Trifluoroacetic Acid: An Experimental and
Theoretical Study
Linda M. Reynard and D. J. Donaldson
pp 8651 - 8657;
Ethylene Glycol Ions Dissociate by Tunneling through an H-Atom Transfer Barrier:
A DFT and TPEPICO Study
Yue Li and Tomas Baer
pp 8658 - 8666;
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
Molecular Mechanics (MM4) Studies of Carboxylic Acids, Esters, and Lactones
Jenn-Huei Lii
pp 8667 - 8679;
Ab Initio Calculations on Al2N4 and AlNn (n = 4 to 7): Potential Precursors of
High Energy Density Materials
Edmond P. F. Lee, John M. Dyke, and Rob P. Claridge
pp 8680 - 8695;
Ab Initio and Improved Empirical Potentials for the Calculation of the \Anharmonic Vibrational
States and Intramolecular Mode Coupling of N-Methylacetamide
Susan K. Gregurick, Galina M. Chaban, and R. Benny Gerber
pp 8696 - 8707;
Reductive Dechlorination of Trichloroethylene: A Computational Study
Christel Nonnenberg, Wilfred A. van der Donk, and Hendrik Zipse
pp 8708 - 8715;
Tuning Spin-State Preference by Substituents: A Case Study of Thianthrene
Dication
Akihiro Ito, Haruhiro Ino, Hidehisa Ichiki, and Kazuyoshi Tanaka
pp 8716 - 8720; (Article) DOI: 10.1021/jp0155967
(109K)
Practical Approaches To Construct RS-HDMR Component Functions
Genyuan Li, Sheng-Wei Wang, and Herschel Rabitz
pp 8721 - 8733;
Molecular Structure of Nicotine As Studied by Gas Electron Diffraction Combined
with Theoretical Calculations
Tsuguhide Takeshima, Risaku Fukumoto, Toru Egawa, and Shigehiro Konaka
pp 8734 - 8740;
Formation of CO in the Reaction of Oxygen Atoms with CH3: Reaction over a arrier
but Not through a Saddle Point
Vadim D. Knyazev
pp 8741 - 8756;
Relative Acidities of Ortho-Substituted Phenols, as Models for Modified
Tyrosines in Proteins
Fahmi Himo, Louis Noodleman, Margareta R. A. Blomberg, and Per E. M. Siegbahn
pp 8757 - 8761;
Organometallic Precursors for the Formation of GaN by MOCVD: Structural
Characterization of (CH3)3GaNH(CH2CH3)2 by Gas-Phase Electron Diffraction and ab
Initio Molecular Orbital Calculations
Kirsten Aarset, Carolyn E. Beer, Kolbjrn Hagen, Elizabeth M. Page, and David A.
Rice
pp 8762 - 8768;
The First Singlet (n,*) and (,*) Excited States of the Hydrogen-Bonded Complex
between Water and Pyridine
Zheng-Li Cai and Jeffrey R. Reimers
pp 8769 - 8778;
A DFT Study on Intramolecular Hydrogen Bonding in 2-Substituted Phenols:
Conformations, Enthalpies, and Correlation with Solute Parameters
Hans-Gert Korth, Martine I. de Heer, and Peter Mulder
pp 8779 - 8789;
Electronic Spectrum of Tin Oxide: MRDCI Study
Dipankar Giri, Robert J. Buenker, and Kalyan Kumar Das
pp 8790 - 8797;
Threshold Collision-Induced Dissociation Determination and Molecular Orbital
Calculations of the Binding Energies of Sodium and Silver Ions to Small
Nitrogen-Containing Ligands
Houssain El Aribi, Christopher F. Rodriquez, Tamer Shoeib, Yun Ling, Alan C.
Hopkinson, and K. W. Michael Siu
pp 8798 - 8805;
Internal Rotation of Amino and Nitro Groups in TATB: MP2 Versus DFT (B3LYP)
M. Riad Manaa, Richard H. Gee, and Laurence E. Fried
pp 8806 - 8810;
A Theoretical Study of the Dynamics of the S + c-C3H Reaction
J. R. Flores, E. Mart?nez-N??ez, S. A. V?zquez, and F. J. G?mez
pp 8811 - 8819;
GENERAL PHYSICAL CHEMISTRY
Preferential Solvation of a Hydrophobic Probe in Binary Mixtures Comprised of a
Nonprotic and a Hydroxylic Solvent: A View of Solute-Solvent and Solvent-Solvent
Interactions
Marcos A. do R. Silva, Domingas C. da Silva, Vanderlei G. Machado, Elisane
Longhinotti, and Vera L. A. Frescura
pp 8820 - 8826;
Solvation of Sulfur-Centered Cations and Anions in Acetonitrile
Tore Brinck, Peter Carlqvist, Allan Hjarb?k Holm, and Kim Daasbjerg
pp 8827 - 8833;
ADDITIONS AND CORRECTIONS
2001, Volume 105A C5H4: Pyramidane and Its Low-Lying Isomers.
Joseph P. Kenny, Karl M. Krueger, Jonathan C.Rienstra-Kiracofe, and Henry F.
Schaefer III:
pp 8834 - 8834;
Influence of Polymer Matrices on the Photophysical Properties of UV Absorbers
Martin Stein, Juergen Keck, Frank Waiblinger, Anja P.Fluegge, Horst E. A.
Kramer, Achim Hartschuh, HelmutPort, David Leppard, and Gerhard Rytz:
pp 8834 - 8834;