Journal of Physical Chemistry, 2002, V 106, N 23, 13 June.
FEATURE ARTICLE
C + C2H2: A Key Reaction in Interstellar Chemistry
David C. Clary, Erasmo Buonomo, Ian R. Sims, Ian W. M. Smith, Wolf D. Geppert,
Christian Naulin, Michel Costes, Laura Cartechini, and Piergiorgio Casavecchia
pp 5541 - 5552
ARTICLES
DYNAMICS AND RELAXATION
Ultrafast Nonequilibrium Charge Recombination Dynamics of Excited Donor-Acceptor
Complexes Olivier Nicolet and Eric Vauthey
pp 5553 - 5562
Nonstatistical Translational Energy Distribution of H2 Elimination Products from
Co+(3F4) + Propane
Emily L. Reichert and James C. Weisshaar
pp 5563 - 5576
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
Substituent Effect on the Dual Fluorescence of Benzanilides and N-
Methylbenzanilides in Cyclohexane. Direct Evidence for Intramolecular Charge
Transfer
Xuan Zhang, Xiang-Ying Sun, Chao-Jie Wang, and Yun-Bao Jiang
pp 5577 - 5581
Photoluminescence of C60 and Its Photofragments in the Gas Phase
Young Jong Lee, Nam Woong Song, and Seong Keun Kim
pp 5582 - 5590
Structure and Photoinduced Excited State Keto-Enol Tautomerization of
7-Hydroxyquinoline-(CH3OH)n Clusters
Yoshiteru Matsumoto, Takayuki Ebata, and Naohiko Mikami
pp 5591 - 5599
Probing the Electronic Structure and Aromaticity of Pentapnictogen Cluster
Anions Pn5- (Pn = P, As, Sb, and Bi) Using Photoelectron Spectroscopy and ab
Initio Calculations
Hua-Jin Zhai, Lai-Sheng Wang, Aleksey E. Kuznetsov, and Alexander I. Boldyrev
pp 5600 - 5606
DFT Calculation of NMR JFF Spin-Spin Coupling Constants in Fluorinated Pyridines
Ver?nica Barone, Juan E. Peralta, Rub?n H. Contreras, and James P. Snyder
pp 5607 - 5612
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
Kinetics of the Reaction between Propargyl Radical and Acetylene
Vadim D. Knyazev and Irene R. Slagle
pp 5613 - 5617
Investigation of the Influence of Heavy Water on Kinetic Pathways in the Bray-
Liebhafsky Reaction
Dragomir R. Stanisavljev and Vladana B. Vukojevi
pp 5618 - 5625
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL
THEORY
Valence One-Electron and Shake-Up Ionization Bands of Carbon Clusters. III. The
Cn (n = 5,7,9,11) Rings
M. S. Deleuze, M. G. Giuffreda, and J.-P. Fran?ois
pp 5626 - 5637
Molecular Mechanics (MM4) Calculations on Amides
Charles H. Langley and Norman L. Allinger
pp 5638 - 5652
Electronegativity Versus Lone Pair Shape: A Comparative Study of
Phosphaferrocenes and Azaferrocenes
Gilles Frison, Fran?ois Mathey, and Alain Sevin
pp 5653 - 5659
Modeling Copper(I) Complexes: SIBFA Molecular Mechanics versus ab Initio
Energetics and Geometrical Arrangements
N. Gresh, C. Policar, and C. Giessner-Prettre
pp 5660 - 5670
Blue-Shifting C-H···X (X = O, Halogen) Hydrogen Bonds in the Dimers of
Formaldehyde Derivatives
Attila Kov?cs, Andrea Szab?, D?nes Nemcsok, and Istv?n Hargittai
pp 5671 - 5678
The Reaction of Cu(I) (1S and 3D) with N2O: An ab Initio Study
Annelies Delabie and Kristine Pierloot
pp 5679 - 5685
Reaction-Path Dynamics Calculations Using Integrated Methods. The CF3CH3 + OH
Hydrogen Abstraction Reaction
J. Espinosa-Garc?a
pp 5686 - 5696
Isomerization versus Fragmentation of Glycine Radical Cation in Gas Phase
Silvia Simon, Mariona Sodupe, and Juan Bertran
pp 5697 - 5702; DOI: 10.1021/jp020011+
Ring Current Patterns in Annelated Bicyclic Polyenes
Remco W. A. Havenith, Francesca Lugli, Patrick W. Fowler, and Erich Steiner
pp 5703 - 5708
High Level ab Initio Study of Thermal 1,3-Sigmatropic Shift in CH2=CHCH2X with X
= BH2, NH2, and CH3
Jun Yong Choi, Chang Kon Kim, Chan Kyung Kim, and Ikchoon Lee
pp 5709 - 5715
Sigma Bonded Radical Cation Complexes: A Theoretical Study
Dilip K. Maity
pp 5716 - 5721
GENERAL PHYSICAL CHEMISTRY
Quantitative Analysis of Mixing Structures in Chaotic Flows Generated by
Infinitely Fast Reactions in the Presence of Diffusion
M. Giona, S. Cerbelli, and A. Adrover
pp 5722 - 5736
Study of Local Hard-Soft Acid-Base Principle to Multiple-Site Interactions
K. R. S. Chandrakumar and Sourav Pal
pp 5737 - 5744