Journal of Physical Chemistry, 1999, V 103, N 8, 25 Feb.
971-979 Vibrational Energy Redistribution in Polyatomic Liquids: Ultrafast
IR-Raman Spectroscopy of Nitromethane John C. Deàk, Lawrence K. Iwaki,
and Dana D. Dlott
980-988 Spin and Molecular Dynamics of Biradicals as Studied by Low Field
Nuclear Polarization at Variable Temperature Alexandra Yurkovskaya,
Stefan Grosse, Sergey Dvinskikh, Olga Morozova, and Hans-Martin Vieth
989-998 Molecular Packing and Molecular Dynamics Study of the Transferability
of a Generalized Nitramine Intermolecular Potential to Non-Nitramine
Crystals Dan C. Sorescu, Betsy M. Rice, and Donald L. Thompson
999-1006 Orientational and Vibrational Relaxation Dynamics of Perylene and
1-Methylperylene in n-Alcohols: Probing the Balance between van der
Waals and Hydrogen-Bonding Interactions S. N. Goldie and G. J.
Blanchard
1007-1013Theoretical Study of the Electronic Spectrum of the SiC- Anion Z.-L.
Cai and J. P. François
1014-1024Dynamics of Excimer Formation and Relaxation in the T-Shaped Benzene
Dimer Toshihiko Hirata, Hiroshi Ikeda, and Hiroyuki Saigusa
1025-1028Vanadium and Niobium Hexadinitrogen and Hexacarbonyl Complexes:
Electron-Spin-Resonance Spectra at 4 K S. H. Parrish, R. J. Van Zee,
and W. Weltner, Jr.
1029-1037Chemical Shift Tensors of Directly Bonded Phosphorus Nuclei in
Unsaturated Four-Membered Rings. Solid-State 31P NMR and Theoretical
Study of Trans- and Cis-Substituted Diphosphetes Guy M. Bernard, Gang
Wu, Michael D. Lumsden, Roderick E. Wasylishen, Nicole Maigrot, Claude
Charrier, and François Mathey
1038-1043Bromination Reactions Important in the Mechanism of the
Belousov-Zhabotinsky System Atchara Sirimungkala, Horst-Dieter
Försterling, and Vladimir Dlask , Richard J. Field
1044-1053Mechanism of the Gas-Phase HO + H2O [Image] H2O + OH Reaction and
Several Associated Isotope Exchange Reactions: A Canonical Variational
Transition State Theory Plus Multidimensional Tunneling Calculation
Laura Masgrau, Angels González-Lafont, and José M. Lluch
1054-1072Ab Initio Quantum Chemical and Experimental (Shock Tube) Studies of
the Pyrolysis Kinetics of Acetonitrile Karina Sendt, Emi Ikeda, George
B. Bacskay, and John C. Mackie
1073-1077CmHn+ Reactions with Atomic and Molecular Nitrogen: An Experimental
Study Graham B. I. Scott, David A. Fairley, Colin G. Freeman, and
Murray J. McEwan , Vincent G. Anicich
1078-1083Theoretical Study of the H3PNH + H2CO Reaction Mechanism via Five
Reaction Channels Wen Cai Lu, Cheng Bu Liu, and Chia Chung Sun
1084-1093A Theoretical Study of the Electronic Coupling Element for Electron
Transfer in Water Newt E. Miller, Matthew C. Wander, and Robert J.
Cave
1094-1103Theory and Modeling of the Binding in Cationic
Transition-Metal-Benzene Complexes Chia-Ning Yang and Stephen J.
Klippenstein
1104-1108Structures of RgFn (Rg = Xe, Rn, and Element 118. n = 2, 4.)
Calculated by Two-component Spin-Orbit Methods. A Spin-Orbit Induced
Isomer of (118)F4 Young-Kyu Han and Yoon Sup Lee
1109-1114On the Structure of Al2O3 and Photoelectron Spectra of Al2O2- and
Al2O3- Edet F. Archibong and Alain St-Amant
1115-1125An Infrared Spectroscopic and Density Functional Theoretical
Investigation of the Reaction Products of Laser-Ablated Scandium and
Titanium Atoms with Nitric Oxide Gary P. Kushto, Mingfei Zhou, and
Lester Andrews , Charles W. Bauschlicher Jr.
1126-1131Electronic Structures of Novel Tetrasilyl-Substituted Ethylenes:
5,5,6,6,11,11,12,12-Octaethyl-5,6,11,12-tetrasilanaphthacene and
1,1'-Bis(3,4-benzo-2,2,5,5-tetraethyl-2,5-disilacyclopent-3-enylidene)
Kazuyoshi Tanaka, Takao Yoshii, and Akihiro Ito , Mitsuo Ishikawa and
Akinobu Naka , Mamoru Fujitsuka, Akira Watanabe, and Osamu Ito ,
Yoichi Matsuzaki
1132-1139Mechanism of Acid Dissociation in Water Clusters: Electronic Structure
Studies of (H2O)nHX (n = 4, 7; X = OH, F, HS, HSO3, OOSO2H, OOH·SO2)
Angela Smith, Mark A. Vincent, and Ian H. Hillier
1140-1149Mapped Interpolation Scheme for Single-Point Energy Corrections in
Reaction Rate Calculations and a Critical Evaluation of Dual-Level
Reaction Path Dynamics Methods Yao-Yuan Chuang, José C. Corchado, and
Donald G. Truhlar
1150-1159Gas-Phase Thermochemistry of Iron Oxides and Hydroxides: Portrait of a
Super-Efficient Flame Suppressant C. Brian Kellogg and Karl K. Irikura
1160-1161Comment on "Distinctive Normal Harmonic Vibrations of
[2.2]Paracyclophane" Debora Henseler and Georg Hohlneicher
1162-1163Reply to Comment on "Distinctive Normal Harmonic Vibrations of
[2.2]Paracyclophane" Susan E. Walden and Daniel T. Glatzhofer