The Journal of Physical Chemistry , 2000, V 104, N 20, 25 May.

ELECTRONIC AND NONLINEAR OPTICAL MATERIALS:
 4671-4673 Electronic and Nonlinear Optical Materials: The Role of Theory
and Modeling Shashi P. Karna 

ARTICLES

 4674-4684 
H2 Cracking at SiO2 Defect Centers Mirko Vitiello, Nuria Lopez,
and Francesc Illas , Gianfranco Pacchioni 

 4685-4689 
An Efficient Implementation of the Direct Random-Phase
Approximation Using the Quasi-Particle Formalism Hideo Sekino

4690-4698 
An Attempt To Bridge the Gap between Computation and Experiment
for Nonlinear Optical Properties: Macroscopic Susceptibilities
in Solution Roberto Cammi, Benedetta Mennucci, and Jacopo
Tomasi 

 4699-4703 
Effect of Hole Trapping on the Microscopic Structure of Oxygen
Vacancy Sites in a-SiO2 Andrew C. Pineda , Shashi P. Karna

4704-4710 
Exciton Migration and Cathode Quenching in Organic Light
Emitting Diodes Alexander L. Burin and Mark A. Ratner

4711-4717 
Computational Study of Polarizabilities and Second
Hyperpolarizabilities of Inorganic Transition Metal
Thiometalates and Metalates in Solution Thomas R. Cundari,,1
Henry A. Kurtz, and Tie Zhou 

 4718-4722 
Solvent-Induced Two-Photon Absorption of a Push-Pull Molecule
Yi Luo, Patrick Norman, Peter Macak, and Hans Ågren

4723-4734 
Molecular Design for Organic Nonlinear Optics: Polarizability
and Hyperpolarizabilities of Furan Homologues Investigated by
Ab Initio Molecular Orbital Method Kenji Kamada, Minoru Ueda,
Hidemi Nagao, Keiko Tawa, Takushi Sugino, Yo Shmizu, and Koji
Ohta 

 4735-4738 
Nonlinear Optical Properties of Threefold Coordinated
Paramagnetic Si Centers: An ab Initio Time-Dependent
Hartree-Fock Study on SiH3 Radical Shashi P. Karna

4739-4747 
On Electronic Properties of Assemblies of Quantum Nanodots F.
Remacle 

 4748-4754 
Triplet Excited States of Free-Base Porphin and Its
[Image]-Octahalogenated Derivatives Kiet A. Nguyen, Paul N.
Day, and Ruth Pachter 

 4755-4763 
Assessment of Conventional Density Functional Schemes for
Computing the Dipole Moment and (Hyper)polarizabilities of
Push-Pull [Image]-Conjugated Systems Benoît Champagne, Eric A.
Perpète, and Denis Jacquemin , Stan J. A. van Gisbergen and
Evert-Jan Baerends , Chirine Soubra-Ghaoui and Kathleen A.
Robins , Bernard Kirtman 

 4764-4766 
Intermolecular Effects on the Two-Photon Absorption Spectrum of
DEANST Crystal P. Feneyrou and P. L. Baldeck 

 4767-4771 
An Ab Initio Model for Solvent Effects in Organic Molecules
Guru P. Das and D. S. Dudis 

 4772-4779 
Computational Aspects of Interaction Hyperpolarizability
Calculations. A Study on H2···H2, Ne···HF, Ne···FH, He···He,
Ne···Ne, Ar···Ar, and Kr···Kr George Maroulis 

 4780-4784 
Hydrogen Cracking in SiO2: Kinetics for H2 Dissociation at
Silicon Dangling Bonds Henry A. Kurtz and Shashi P. Karna

4785-4795 
Monte Carlo Statistical Mechanical Simulations of the
Competition of Intermolecular Electrostatic and Poling-Field
Interactions in Defining Macroscopic Electro-Optic Activity for
Organic Chromophore/Polymer Materials B. H. Robinson and L. R.
Dalton 

 4796-4800 
Structure and Nonlinear Optical Properties of Cationic Defects
in Amorphous Silicon Dioxide. 1. Cluster Studies Antonio M.
Ferreira and Henry A. Kurtz , Shashi P. Karna 

 4801-4804 
(Hyper)polarizabilities of GaN, GaP, and GaAs Clusters: An Ab
Initio Time-Dependent Hartree-Fock Study Prakashan P. Korambath
and Shashi P. Karna 

 4805-4810 
Two-Photon Excitation and Optical Spatial-Profile Reshaping via
a Nonlinear Absorbing Medium Guang S. He, Jacek Swiatkiewicz,
Yan Jiang, and Paras N. Prasad , Bruce A. Reinhardt and
Loon-Seng Tan , Ramamurthi Kannan