Journal of Physical Chemistry A, 1999, V 103, N 37, 16 September.

LETTERS

7381-7384
Extended Diaryl Diselenide Radical Cations in Pentasil Zeolite 
Studied by EPR and Diffuse Reflectance Optical Spectroscopy 
Prasad S. Lakkaraju, Kui Shen, Heinz D. Roth, and Hermenegildo García 


FEATURE ARTICLE

7385-7394
Generation, Stability, and Reactivity of Small, Multiply Charged Ions in the Gas Phase 
Detlef Schröder and Helmut Schwarz 

ARTICLES

DYNAMICS AND RELAXATION


7395-7400
Rapid Vibrational Quenching of CO(V) by H2O and C2H2 
Baoshan Wang and Yueshu Gu, Fanao Kong 

7401-7407
Optical Heterodyne Detected Transient Grating for the Separations of Phase and 
Amplitude Gratings and of Different Chemical Species 
Masahide Terazima 

7408-7418
Femtosecond Dynamics of Pyridine in the Condensed Phase:  Valence Isomerization by 
Conical Intersections 
Mirianas Chachisvilis and Ahmed H. Zewail 

7419-7431
Femtosecond Dynamics of Double Proton Transfer in a Model DNA Base Pair:  
7-Azaindole Dimers in the Condensed Phase 
T. Fiebig, M. Chachisvilis, M. Manger, and A. H. Zewail, A. Douhal, 
I. Garcia-Ochoa, and A. de La Hoz Ayuso 


SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS


7432-7436
Vibronic Relaxation among the Clements Bands of SO2 from the E-Band Excitation
S. C. Bae, H. S. Son, G. H. Kim, and J. K. Ku 

7437-7444
Density Functional Theory Studies on Vibrational Spectra of 
Si2H5X (X = F, Cl, Br) and Their Isotopomers 
Daiqian Xie, Xuejun Xu, Ying Xue, and Guosen Yan 

7445-7453
Partially Formed Bonds In HCN-SO3 and CH3CN-SO3:  
A Comparison between Donor-Acceptor Complexes of SO3 and BF3 
W. A. Burns, J. A. Phillips, M. Canagaratna, H. Goodfriend, and K. R. Leopold 


KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY


7454-7459
Quenching of Singlet Oxygen by Trolox C, Ascorbate, and Amino Acids:  Effects of pH and Temperature 
Roger H. Bisby and Christopher G. Morgan , Ian Hamblett and Anthony A. Gorman 

7460-7469
Kinetics of the Cl(2PJ) + CH4 Reaction:  
Effects of Secondary Chemistry below 300 K 
J. J. Wang and Leon F. Keyser 

7470-7473
Gas Phase Reactions of Some Positive Ions with Atomic and Molecular Oxygen 
and Nitric Oxide at 300 K 
Graham B. I. Scott, David A. Fairley, Daniel B. Milligan, Colin G. Freeman, and
Murray J. McEwan 


MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY


7474-7480
Ab Initio Structure and Vibrational Frequencies of 
(CF3SO2)2N-Li+ Ion Pairs 
Shridhar P. Gejji, C. H. Suresh, K. Babu, and Shridhar R. Gadre 

7481-7486
Singlet-Triplet Gap, and the Electronic and Vibrational Spectra of Chlorophenylcarbene:  
A Combined Theoretical and Experimental Study 
Josefredo R. Pliego, Jr. and Wagner B. De Almeida, Sol Celebi, Zhendong Zhu, and Matthew S. Platz 

7487-7495
Reduced HOMO-LUMO Gap as an Index of Kinetic Stability for Polycyclic Aromatic Hydrocarbons 
Jun-ichi Aihara 

7496-7505
The Electron Affinities of the Selenium Fluorides SeFn (n = 1-7) 
Qian-shu Li and Wen-guo Xu , Yaoming Xie and Henry F. Schaefer III 

7506-7514
Dipolar Properties of and Temperature Effects on the Electronic States of 
3-Hydroxyflavone (3HF) Determined using Stark-Effect Spectroscopy and 
Compared to Electronic Structure Calculations 
Lavanya L. Premvardhan and Linda A. Peteanu 

7515-7521
Density Functional Characterization of [HClO2] Potential Energy Surface 
Raman Sumathi and S. D. Peyerimhoff 

7522-7527
Heats of Formation of Alkali and Alkaline Earth Oxides and Hydroxides:  
Some Dramatic Failures of the G2 Method 
Axel Schulz, Brian J. Smith, and Leo Radom 

7528-7534
Dimer Cations of Cyanoacetylene:  Theoretical Isomers and Their Laboratory
Production in the Absence and Presence of C602+. 
Implications for Interstellar/Circumstellar Chemistry 
R. K. Milburn, A. C. Hopkinson, J. Sun, and D. K. Bohme 

7535-7543
Prediction of 195Pt NMR Chemical Shifts by Density Functional Theory 
Computations:  The Importance of Magnetic Coupling and Relativistic Effects in Explaining Trends 
Thomas M. Gilbert,1 and Tom Ziegler 


GENERAL PHYSICAL CHEMISTRY


7544-7551
FTIR-ATR Studies of the Hydration of 15-Crown-5 and 18-Crown-6 in Aqueous Solutions 
Zhorro S. Nickolov, Keiichi Ohno, and Hiroatsu Matsuura 


COMMENTS


7552-7553
Comment on "A Theoretical Study of Bonding in Lanthanide Trihalides by Density Functional Methods"
Magdolna Hargittai 

7554-7554
Reply to the Comment "A theoretical study of bonding in lanthanide trihalides by 
density functional methods" by M. Hargittai 
Carlo Adamo and Pascale Maldivi