Journal of Physical Chemistry A, 2003, V 107, N 46, November 20.
LETTERS
Ultrafast Reaction between LiH and NH3 during H2 Storage in Li3N
Yun Hang Hu and Eli Ruckenstein
pp 9737 - 9739;
ARTICLES
DYNAMICS AND RELAXATION
Photophysics of 3-Substituted Benzanthrones: Substituent
and Solvent Control of Intersystem Crossing
Peter Kapusta, Oldich Machalick, Radim Hrdina,
Milo Nepra, Matthew B. Zimmt, and Vlastimil Fidler
pp 9740 - 9746;
Photoinduced Electron-Transfer Processes of
Tetrathiafulvalene-(Spacer)-(Naphthalenediimide)-(Spacer)-Tertrathiafulvalene
Triads in Solution
Xuefeng Guo, Zhenhai Gan, Hongxia Luo, Yasuyuki Araki,
Deqing Zhang, Daoben Zhu, and Osamu Ito
pp 9747 - 9753;
Pumping Rate and Surface Morphology Dependence of Ionization
Processes in Matrix-Assisted Laser Desorption Ionization
Yong Chen and Akos Vertes
pp 9754 - 9761;
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
Search for Low Energy Structures of Water
Clusters (H2O)n, n = 20-22, 48, 123, and 293
Jan K. Kazimirski and Victoria Buch
pp 9762 - 9775;
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
Transition State Theory for Multichannel Addition Reactions:
Multifaceted Dividing Surfaces
Yuri Georgievskii and Stephen J. Klippenstein
pp 9776 - 9781;
Thermal Decomposition of 2-Fluoroethanol: Single Pulse
Shock Tube and ab Initio Studies
B. Rajakumar, K. P. J. Reddy, and E.Arunan
pp 9782 - 9793;
Pulse Radiolysis Study of the Reactions of Hydrogen
Atoms in the Ionic Liquid Methyltributylammonium
Bis[(trifluoromethyl)sulfonyl]imide
Jan Grodkowski, Pedatsur Neta, and James F. Wishart
pp 9794 - 9799;
Experimental Thermodynamics of Cluster Ions
Composed of H2SO4 and H2O. 1. Positive Ions
Karl D. Froyd and Edward R. Lovejoy
pp 9800 - 9811;
Experimental Thermodynamics of Cluster Ions
Composed of H2SO4 and H2O. 2. Measurements
and ab Initio Structures of Negative Ions
Karl D. Froyd and Edward R. Lovejoy
pp 9812 - 9824;
Theoretical Study of the C2(1g+,3u) + H2O Reaction Mechanism
Jia-Hai Wang, Ke-Li Han, Guo-Zhong He, Zhuangjie Li,
and Vernon R. Morris
pp 9825 - 9833;
Oxyhalogen-Sulfur Chemistry: Oxidation of
N-Acetylcysteine by Chlorite and Acidic Bromate
James Darkwa, Rotimi Olojo, Olufunke Olagunju,
Adenike Otoikhian, and Reuben Simoyi
pp 9834 - 9845;
Mechanisms of Oscillatory Reactions Deduced
from Bifurcation Diagrams
Igor Schreiber and John Ross
pp 9846 - 9859;
Direct Observation of NADH Radical Cation
Generated in Reactions with One-Electron Oxidants
Jacek Zielonka, Andrzej Marcinek, Jan Adamus, and Jerzy Gbicki
pp 9860 - 9864;
Gas Phase Reactivity of Ni+ with Urea. Mass
Spectrometry and Theoretical Studies
L. Rodriguez-Santiago, M. Noguera, M. Sodupe,
J. Y. Salpin, and J. Tortajada
pp 9865 - 9874;
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
Structural Identification of Local Maxima in Low-Resolution
Promolecular Electron Density Distributions
Laurence Leherte, Laurent Dury, and Daniel P. Vercauteren
pp 9875 - 9886;
Tensor Contraction Engine: ion and Automated Parallel
Implementation of Configuration-Interaction,
Coupled-Cluster, and Many-Body Perturbation Theories
So Hirata
pp 9887 - 9897;
Use of Periodic Boundary Conditions To Calculate Accurate
-Sheet Frequencies Using Density Functional Theory
Stefan Franzen
pp 9898 - 9902;
Structure and Properties of the [Ru(bpy)(CN)4]2- Complex
and Its Solvent Environment: X-ray Diffraction and
Density Functional Study
Tunde Megyes, Gabor Schubert, Margit Kovacs,
Tamas Radnai, Tamas Grosz, Imre Bako,
Imre Papai, and Attila Horvath
pp 9903 - 9909;
Correlation of an Alcohol's C-D Stretch with Hydrogen
Bond Strength in Complexes with Amines
Nakul C. Maiti, Paul R. Carey, and Vernon E. Anderson
pp 9910 - 9917;
Clusters of Group II-VI Materials: CdiOi (i 15)
Jon M. Matxain, Jose M. Mercero, Joseph E. Fowler,
and Jesus M. Ugalde
pp 9918 - 9923;
14,15N NMR Shielding Constants from Density Functional Theory
Elisa Fadda, Mark E. Casida, and Dennis R. Salahub
pp 9924 - 9930;
Ab Initio Study of the Oxidation Reaction of CO by ClO Radicals
Florent Louis, Carlos A. Gonzalez, and Jean-Pierre Sawerysyn
pp 9931 - 9936;
Adiabatic Population Transfer with Control Fields
Mustafa Demirplak and Stuart A. Rice
pp 9937 - 9945;
An Assessment of Theoretical Methods for the Calculation
of Accurate Structures and S-N Bond Dissociation
Energies of S-Nitrosothiols (RSNOs)
Cristina Baciu and James W. Gauld
pp 9946 - 9952;
Density Functional Theory Based Model Calculations
for Accurate Bond Dissociation Enthalpies. 3.
A Single Approach for X-H, X-X, and X-Y
(X, Y = C, N, O, S, Halogen) Bonds
Erin R. Johnson, Owen J. Clarkin, and Gino A. DiLabio
pp 9953 - 9963;
Predicting 13C NMR Spectra by DFT Calculations
Alessandro Bagno, Federico Rastrelli, and Giacomo Saielli
pp 9964 - 9973;
Gas-Phase Reactions between Diborane and Carbon
Monoxide: A Theoretical Study
Shao-Wen Hu, Yi Wang, Xiang-Yun Wang,
Ti-Wei Chu, and Xin-Qi Liu
pp 9974 - 9983;
Reactivity of [1,2-Benzisotellurazol-3(2H)-one] with
Peroxynitrous Acid: Comparison with Ebselen Analogues
Djamaladdin G. Musaev and Kimihiko Hirao
pp 9984 - 9990;
Accurate Calculations of Bond Dissociation
Enthalpies with Density Functional Methods
Xiao-Qian Yao, Xin-Juan Hou, Haijun Jiao,
Hong-Wei Xiang, and Yong-Wang Li
pp 9991 - 9996;
Density-Functional Theory Calculations of Aqueous
Redox Potentials of Fourth-Period Transition Metals
Merle Uudsemaa and Toomas Tamm
pp 9997 - 10003;
Stability and Aromaticity of BiNi Rings and Fullerenes
Jon M. Matxain, Jesus M. Ugalde, M. D. Towler, and R. J. Needs
pp 10004 - 10010;
Importance of Electronic Delocalization on the C-N Bond
Rotation in HCX(NH2) (X = O, NH, CH2, S, and Se)
Yirong Mo, Paul von Rague Schleyer, Wei Wu,
Menghai Lin, Qianer Zhang, and Jiali Gao
pp 10011 - 10018;