The Journal of Physical Chemistry, 1999, V 103, N 13, 1 April.
FEATURE
1913-1928 Correlated ab Initio Electronic Structure Calculations for
Large Molecules Richard A. Friesner, Robert B. Murphy, Michael
D. Beachy, Murco N. Ringnalda, W. Thomas Pollard, Barry D.
Dunietz, and Yixiang Cao [Full
ARTICLES
DYNAMICS AND RELAXATION
1929-1938 State-Resolved Photofragmentation of [ClNO]n van der Waals
Clusters in a Supersonic Jet Carlos Conde, Christof Maul, and
Edwin Quiñones
1939-1949 Proton-Transfer Tautomerism of 7-Hydroxyquinolines Mediated by
Hydrogen-Bonded Complexes Pi-Tai Chou, Chin-Yen Wei, Churng-Ren
Chris Wang, Fa-Tsai Hung, and Chen-Pin Chang
1950-1957 Triplet Dynamics of Conformationally Distorted Porphyrins in
Isotropic Liquids and Liquid Crystals. Time-Resolved Electron
Paramagnetic Resonance Study Shalom Michaeli, Shay Soffer, and
Haim Levanon , Mathias O. Senge and Werner W. Kalisch
1958-1966 Internal Conversion in 1-Aminonaphthalenes. Influence of Amino
Twist Angle Ingo Rückert, Attila Demeter, Olaf Morawski,
Wolfgang Kühnle, Erich Tauer, and Klaas A. Zachariasse
1967-1971 Approximate Quantum Mechanical Cross Sections and Rate
Constants for the H + O3 Atmospheric Reaction Using Novel
Elastic Optimum Angle Adiabatic Approaches H. Szichman and A.
J. C. Varandas
SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS
1972-1975 The Electronic Structure of the (CH3)2N Radical and the
Pyrolysis Mechanism of Dimethylnitrosamine: A HeI Photoelectron
Spectroscopic Study Qiao Chunhua, Hong Gongyi, and Wang Dianxun
1976-1985 Conformational Stability of 3-Fluoropropene in Rare Gas
Solutions from Temperature-Dependent FT-IR Spectra and ab
Initio Calculations B. J. van der Veken and W. A. Herrebout ,
D. T. Durig, Wayne Zhao, and J. R. Durig
1986-1990 Electron Spin Polarizations of Phthalocyaninatosilicon
Covalently Linked to One TEMPO Radical in the Excited Quartet
and Doublet Ground States Kazuyuki Ishii, Yoshiharu Hirose, and
Nagao Kobayashi
1991-1996 Photophysical Studies on Molecular Chirality: Ground and
Excited State Enantioselective Interactions between
2-Naphthyl-1-ethanol and Natural Bicyclic Compounds F. Lahmani,
K. Le Barbu, and A. Zehnacker-Rentien
1997-2006 Reactivity and Photoionization Studies of Bimetallic
Cobalt-Manganese Clusters G. M. Koretsky, K. P. Kerns, G. C.
Nieman, M. B. Knickelbein, and S. J. Riley
2007-2012 Intracluster Ion-Molecule Reactions of Dimer Cations of
Phenylsilanes Haruki Ishikawa, Jun-ichi Hashimoto, Yoichi
Shimanuki, and Naohiko Mikami
2013-2023 Infrared Spectra of OMCO (M = Cr-Ni), OMCO- (M = Cr-Cu), and
MCO2- (M = Co-Cu) in Solid Argon Mingfei Zhou, Binyong Liang,
and Lester Andrews
KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY
2024-2030 Simultaneous Thermal and Plasma Chemical Activation of
Conversions in H2-I2-HI Mixtures Frank Miethke, Hans-Erich
Wagner, Alfred Rutscher, and Siegfried Gundermann
2031-2043 Chlorine Atom Initiated Oxidation of Chlorinated Ethenes:
Results for 1,1-Dichloroethene (H2C=CCl2), 1,2-Dichloroethene
(HClC=CClH), Trichloroethene (HClC=CCl2), and Tetrachloroethene
(Cl2C=CCl2) Alam S. Hasson and Ian W. M. Smith
2044-2049 Adsorption and Desorption of HCl on Ice Marcia J. Isakson and
Greg O. Sitz
2050-2059 A Novel Small-Ratio Relative-Rate Technique for Measuring OH
Formation Yields from the Reactions of O3 with Alkenes in the
Gas Phase, and Its Application to the Reactions of Ethene and
Propene Suzanne E. Paulson, Jill D. Fenske, Atish D. Sen, and
Tyrone W. Callahan
2060-2065 Theoretical Investigation of the Reaction of O(3P) with CH2Cl
Baoshan Wang, Hua Hou, and Yueshu Gu
2066-2075 Infrared Spectra and Density Functional Calculations for OMCO,
OM-([Image]2-CO), OMCO+, and OMOC+ (M = V, Ti) in Solid Argon
Mingfei Zhou and Lester Andrews
2076-2087 Kinetic Isotope Effect in the Gas-Phase Reaction of Muonium
with Molecular Oxygen Ulrich Himmer, Herbert Dilger, and Emil
Roduner , James J. Pan, Donald J. Arseneau, and Donald G.
Fleming , Masayoshi Senba
2088-2096 Prediction of Absolute Rate Constants for the Reactions of NH2
with Alkanes from ab Initio G2M/TST Calculations A. M. Mebel
and M. C. Lin
2097-2099 Fluorescence Excitation Spectrum of OClO (Ã2A2) Soon-Mi Lim,
Taek-Soo Kim, Goo-Il Lim, Sang Kyu Kim, and Young S. Choi
MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY
2100-2106 Theoretical Investigation of the Reaction of ClONO2 with H2O on
Water Clusters Si Chuan Xu and Xin Sheng Zhao
2107-2116 Magnesium Dicyanide: Three Isomers or Seven? Simon Petrie
2117-2127 Multicenter Integration Scheme for Electronic Structure
Calculations of Periodic and Nonperiodic Polyatomic Systems
Zijing Lin, John E. Jaffe, and Anthony C. Hess
2128-2133 Gaseous Trihalogen Cations. Formation, Structure and Reactivity
of Cl3+ and Cl2F+ Ions from a Joint ab Initio and FT-ICR Study
Fulvio Cacace, Giulia de Petris, Federico Pepi, Marzio Rosi,
and Anna Troiani
2134-2140 Ab Initio and Density Functional Theory Study of the Geometric
Structure, Vibrational Frequency, Torsional Potential, and
Isomerization of Dichlorodisulfane (ClSSCl) Debananda Das and
Scott L. Whittenburg
2141-2151 Structures, Vibrational Frequencies and Polarizabilities of
Diazaborinines, Triazadiborinines, Azaboroles, and Oxazaboroles
Robert J. Doerksen and Ajit J. Thakkar
2152-2159 Direct ab Initio Dynamics Studies of the Hydrogen Abstraction
Reactions of Hydrogen Atom with Fluoromethanes Dilip K. Maity,
Wendell T. Duncan, and Thanh N. Truong
2160-2169 Ab Initio Study of the Most Stable C4H5 Isomers C. L. Parker
and A. L. Cooksy
2170-2174 An ab Initio Study on the Equilibrium Structure and XCN Bending
Energy Levels of Halofulminates: ClCNO Jacek Koput