The Journal of Physical Chemistry A, 2002, N 5, 7 February

FEATURE ARTICLE 

697-718 
Ultrafast Nonlinear Spectroscopic Techniques in the Gas Phase and Their Density 
Matrix Representation Bruna I. Grimberg, Vadim V. Lozovoy, and Marcos Dantus , 
Shaul Mukamel 

ARTICLES 


DYNAMICS AND RELAXATION 
719-724 
Multiconfiguration Time-Dependent Hartree Dynamics on an ab Initio Reaction 
Surface: Ultrafast Laser-Driven Proton Motion in Phthalic Acid Monomethylester 
H. Naundorf, G. A. Worth, H.-D. Meyer, and O. Kuhn 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS 
725-730 
Photoinduced Charge Transfer Dissociation of Al+-Ethene, -Propene, and -Butene 
W.-Y. Lu, R.-G. Liu, T.-H. Wong, J. Chen, and P. D. Kleiber 

731-742 
Ab Initio Study of Lower Energy Phenol-Water1n4 Complexes: Interpretation of Two 
Distinct Infrared Patterns in Spectra of Phenol-Water Tetramer Eugene S. 
Kryachko and Hiroshi Nakatsuji 

743-746 
Parametric Study of NCl(a) and NCl(b1) from the Reaction of Cl/Cl2/He + HN3/He 
Liping Duo, Shukai Tang, Jian Li, Xiangde Min, Fengting Sang, and Bailing Yang 

747-753 
Spectroscopy and Predissociation of Acetylene in the np Gerade Rydberg States 
Kazuhide Tsuji, Naoko Arakawa, Akio Kawai, and Kazuhiko Shibuya 

754-759 
Four-Photon Excitation of 2,2'-Dimethyl-p-terphenyl Ignacy Gryczynski, Grzegorz 
Piszczek, Zygmunt Gryczynski, and Joseph R. Lakowicz 

760-766 
Self-Modeling Curve Resolution Study of Temperature-Dependent Near-Infrared 
Spectra of Water and the Investigation of Water Structure S. ai, V. H. Segtnan, 
and Y. Ozaki 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY 

767-774 
Selective Hydrogenation of Acetylene in an Ethylene Rich Flow: Results of 
Kinetic Simulations Jason Gislason, Wensheng Xia, and Harrell Sellers 

775-782 
Adsorption to Ice of n-Alcohols (Ethanol to 1-Hexanol), Acetic Acid, and Hexanal 
O. Sokolov and J. P. D. Abbatt 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY 

783-784 
Ab Initio Studies of MgNen+ Complexes with n = 1-4 Anne-Marie Sapse 

785-794 
Dissociation Potential Curves of Low-Lying States in Transition Metal Hydrides. 
I. Hydrides of Group 4 Shiro Koseki, Yohei Ishihara, Hiroaki Umeda, Dmitri G. 
Fedorov, and Mark S. Gordon 

795-803 
On Relativity, Bonding, and Valence Electron Distribution 
Shu-guang Wang, Wenjian Liu, and W. H. Eugen Schwarz 

804-815 
A Comparative Theoretical Study on DMABN: Significance of Excited State 
Optimized Geometries and Direct Comparison of Methodologies 
Andreas B. J. Parusel, Wolfgang Rettig, and Wibke Sudholt 

816-818 
Acyclic N10 Fails as a High Energy Density Material 
Douglas L. Strout 

819-832 
High Level ab Initio Quantum Mechanical Predictions of Infrared Intensities 
Boris Galabov, Yukio Yamaguchi, Richard B. Remington, and Henry F. Schaefer III 

833-841 
Electronic Spectrum of Silicon Monosulfide: Configuration Interaction Study 
Surya Chattopadhyaya, Anjan Chattopadhyay, and Kalyan Kumar Das 

842-846 
What Are the Best Affordable Multi-Coefficient Strategies for Calculating 
Transition State Geometries and Barrier Heights? Benjamin J. Lynch and Donald G. Truhlar

847-853 
Can the Radical Anion of Alkyl-2-cyanoacrylates Initiate Anionic Polymerization 
of These Instant Adhesive Monomers? Nicole R. Brinkmann and Henry F. Schaefer 
III , Cynthia T. Sanderson and Charles Kutal 

ADDITIONS AND CORRECTIONS 

854-854 
Structure of Hydrogen-Bonded Clusters of 7-Azaindole Studied by IR Dip 
Spectroscopy and ab Initio Molecular Orbital Calculation Hiroshi Yokoyama, 
Hidekazu Wantanabe, Takuichiro Omi, Shun-ichi Ishiuchi, and Masaaki Fujii: