The Journal of Physical Chemistry A, 2002, V 106, N 11, 21 March.
ARTICLES
DYNAMICS AND RELAXATION
2379-2389
Balance of the Deactivation Channels of the First Excited Singlet State of
Phenols: Effect of Alkyl Substitution, Sterical Hindrance, and Solvent Polarity
R. Hermann, G. R. Mahalaxmi, T. Jochum, S. Naumov, and O. Brede
2390-2400
Dynamic Solvation of Aminophthalimides in Solvent Mixtures
Diana E. Wetzler, Carlos Chesta, Roberto Ferna'ndez-Prini, and Pedro F. Aramendi'a
2401-2403
Reaction Affinity and Entropy Production in a Model Glycolytic Oscillation
A. K. Dutt
2404-2409
Molecular Dynamics Simulation of Nucleation in the Freezing of Molten Potassium Iodide Clusters
Jinfan Huang and Lawrence S. Bartell
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
2410-2421
Cis-to-trans Isomerization of Spheroidene in the Triplet State as Detected by
Time-Resolved Absorption Spectroscopy
Ritsuko Fujii, Kentaro Furuichi, Jian-Ping Zhang, Hiroyoshi Nagae,
Hideki Hashimoto, and Yasushi Koyama
2422-2429
A New Possibility of Generalized Two-Dimensional Correlation Spectroscopy:
Hybrid Two-Dimensional Correlation Spectroscopy
Yuqing Wu, Jian-Hui Jiang, and Yukihiro Ozaki
2430-2437
Temperature Dependence of Carbonate Radical in NaHCO3 and Na2CO3 Solutions: Is
the Radical a Single Anion?
Guozhong Wu, Yosuke Katsumura, Yusa Muroya, Mingzhang Lin, and Tomomi Morioka
2438-2445
Cross-Correlated Relaxation with Anisotropic Reorientation and Small Amplitude
Local Motions Michae"l Deschamps
2446-2456
Isolated Building Blocks of Photonic Materials: High-Resolution Spectroscopy of
Excited States of Jet-Cooled Push-Pull Stilbenes R. A. Rijkenberg, D. Bebelaar,
W. J. Buma, and J. W. Hofstraat
2457-2464
Rhodium Dinitrogen Complexes Rh(NN)x (x = 1-3) and Anions: Matrix Infrared
Spectra and DFT Calculations Xuefeng Wang and Lester Andrews
2465-2472
Intracluster Ion-Molecule Reactions of Ti+ with Methanol Clusters
Young-Mi Koo, Joung-Hoon Kim, Young-Ku Choi, Hong Lee, and Kwang-Woo Jung
2473-2482
Study of Biogenic and , -Polyamines by Combined Inelastic Neutron Scattering
and Raman Spectroscopies and by Ab Initio Molecular Orbital Calculations
M. Paula M. Marques, Lui's A. E. Batista de Carvalho, and John Tomkinson
2483-2488
Anion Photoelectron Spectroscopy of Vanadium-Doped Cobalt Clusters
Axel Pramann, Kiichirou Koyasu, and Atsushi Nakajima , Koji Kaya
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
2489-2496
Theoretical Study on the Unimolecular Dissociation of CH3SCH3 and CH3SCH2 S.
Hosein Mousavipour, Lila Emad, and Sara Fakhraee
2497-2504
Properties of the OH Adducts of Hydroxy-, Methyl-, Methoxy-, and Amino-
Substituted Pyrimidines: Their Dehydration Reactions and End-Product Analysis T.
L. Luke, T. A. Jacob, H. Mohan, H. Destaillats, V. M. Manoj, P. Manoj,
J. P. Mittal, M. R. Hoffmann, and C. T. Aravindakumar
2505-2511
Effect of NO, CO, and Cl2 on Mixed-Mode Regimes in the Belousov-Zhabotinskyi
Oscillating Chemical Reaction in a CSTR
Peter E. Strizhak, Vyacheslav O. Khavrus, and Kedma Bar-Eli
2512-2519
CH3O Yield in the CH3 + O3 Reaction Using the LP/LIF Technique at Room
Temperature
Jose' Albaladejo, Elena Jime'nez, Alberto Notario, Beatriz Caban~as, and Ernesto Marti'nez
2520-2525
Iodine-Catalyzed R/S Isomerization of Allenic Carotenoids Zhangfei He, Guoqiang
Gao, Elli S. Hand, Lowell D. Kispert, Aase Strand, and Synn e Liaaen-Jensen
2526-2537
A Study of the Photolysis and OH-initiated Oxidation of Acrolein and trans-
Crotonaldehyde I. Magneron, R. The'venet, A. Mellouki, and G. Le Bras , G. K.
Moortgat , K. Wirtz
2538-2544
Rate Constants for the Gas-Phase Reactions of the Hydroxyl Radical with
Isoprene, - and -Pinene, and Limonene as a Function of Temperature
Katherine J. Gill and Ronald A. Hites
2545-2553
Efficient Electron Injection from Twisted Intramolecular Charge Transfer (TICT)
State of 7-Diethyl amino coumarin 3-carboxylic Acid (D-1421) Dye to TiO2
Nanoparticle G. Ramakrishna and Hirendra N. Ghosh
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
2554-2560
Theoretical Reevaluation of the -Donating Effect of Electron-Withdrawing
Substituents in the Conjugated Cationic Systems
In Suk Han, Chang Kon Kim, Chan Kyung Kim, Hai Whang Lee, and Ikchoon Lee
2561-2571
Topological Characterization of Three-Electron-Bonded Radical Anions Isabelle
Fourre', Bernard Silvi, Alain Sevin, and Hilaire Chevreau
2572-2579
Oxygen Atom Reactions with Circumtrindene and Related Molecules: Analogues for
the Oxidation of Nanotube Caps
Janice A. Steckel and Kenneth D. Jordan , Phaedon Avouris
2580-2591
Intersecting Conical Intersection Seams: Their Location, Representation, and
Effect on Local Topography Spiridoula Matsika and David R. Yarkony
2592-2597
The Valence Bond Study for Benzenoid Hydrocarbons of Medium to Infinite Sizes
Yi Gao, Chun-Gen Liu, and Yuan-Sheng Jiang
2598-2613
Flexible Transition State Theory for a Variable Reaction Coordinate: Analytical
Expressions and an Application
Struan Robertson , Albert F. Wagner , David M. Wardlaw
2614-2616
Quantum Mechanical Study of Stabilization of Germaneselones
Hsin-Yi Liao, Ming-Der Su, and San-Yan Chu
2617-2622
ENDOR Study of 14N Hyperfine and Quadrupole Couplings of N2D4 + Formed in
Deuterated Li(N2H5)SO4 Single Crystal Yoshiteru Itagaki, Audun Sanderud, Einar
Sagstuen, and Anders Lund
2623-2628
A Theoretical Analysis of Enantiomerization in Aromatic
Amides P. Campomanes, M. I. Mene'ndez, and T. L. Sordo
2629-2640
BAC-G2 Predictions of Thermochemistry for Gas-Phase Aluminum Compounds
Mark D. Allendorf , Carl F. Melius , Biljana Cosic and Arthur Fontijn
2641-2651
Experimental and Theoretical Investigation of the Reactions between Glucose and
Cu+ in the Gas Phase Manuel Alcami', Alberto Luna, Otilia Mo', M. Ya'n~ez,
Laurence Boutreau, and Jeanine Tortajada
2652-2658
Theoretical Study on the Weakly-Bound Complexes in the Reactions of Hydroxyl
Radical with Saturated Hydrocarbons (Methane, Ethane, and Propane)
Tomohiro Hashimoto , Suehiro Iwata
2659-2670
Theoretical Calculations on the Torsion Potential of Peroxynitrite Anion in
Aqueous Solution Peter I. Nagy
2671-2675
The Equilibrium Geometry, Harmonic Vibrational Frequencies, and Estimated ab
Initio Limit for the Barrier to Planarity of the Ethylene Radical
Cation Micah L. Abrams, Edward F. Valeev, and C. David Sherrill , T. Daniel Crawford
2676-2684
Theoretical Analysis of the CH Stretching Overtone Vibration of 1,2-
Dichloroethylene Kaito Takahashi, Michihiko Sugawara, and Satoshi Yabushita
2685-2694
Configuration Interaction Study of the Low-Lying Electronic States of GaBi Anjan
Chattopadhyay, Surya Chattopadhyaya, and Kalyan Kumar Das
2695-2706
Theoretical Study on the Mechanism of the 1CHF+N2O Reaction
Jian-jun Liu, Yi-hong Ding, Ji-kang Feng, and Chia-chung Sun
2707-2720
Fundamental Properties and Nature of CH··O Interactions in Crystals on the Basis
of Experimental and Theoretical Charge Densities. The Case of 3,4-
Bis(dimethylamino)-3-cyclobutene-1,2-dione (DMACB) Crystal
Carlo Gatti, Emanuela May, Riccardo Destro, and Fausto Cargnoni
2721-2726
Valence Bond Configuration Interaction: A Practical ab Initio Valence Bond
Method That Incorporates Dynamic Correlation Wei Wu, Lingchun Song, Zexing Cao,
Qianer Zhang, and Sason Shaik
2727-2747
On the Enthalpy of Formation of Hydroxyl Radical and Gas-Phase Bond Dissociation
Energies of Water and Hydroxyl
Branko Ruscic, Albert F. Wagner, Lawrence B. Harding, Robert L. Asher, David
Feller, David A. Dixon, Kirk A. Peterson, Yang Song, Ximei Qian, Cheuk-Yiu Ng,
Jianbo Liu, Wenwu Chen, and David W. Schwenke
2748-2752
Theoretical Prediction on the Synthesis Reaction Pathway of N6 (C2h)
Li Jie Wang, Peter Warburton, and Paul G. Mezey [Supporting Information]
2753-2759
DFT Calculations of 119Sn Chemical Shifts Using Gauge-Including Atomic Orbitals
and Their Interpretation via Group Properties
Ricardo Vivas-Reyes, Frank De Proft, Monique Biesemans, Rudolph Willem, and Paul Geerlings
GENERAL PHYSICAL CHEMISTRY
2760-2765
Aqueous Solubility-Molecular Size Relationships: A Mechanistic Case Study Using
C10- to C19-Alkanes Johannes Tolls, John van Dijk, Eric J. M. Verbruggen, Joop
L. M. Hermens, Bjo"rn Loeprecht, and Gerrit Schu"u"rmann
2766-2776
Photochemistry of 2'-Hydroxychalcone. One-Way Cis-Trans Photoisomerization
Induced by Adiabatic Intramolecular Hydrogen Atom Transfer Yasuo Norikane,
Hiroki Itoh, and Tatsuo Arai