Table Of Content

International Journal of Quantum Chemistry Contents for Volume 71, 1999 issue No. 1, 1999 Theoretical and Computational Developments Evaluation of Integrals over STOs on Different Centers and the Complementary Convergence Characteristics of Ellipsoidal-Coordinate and Zeta-Function Expansions H. L. Kennedy and Y. Zhao Classical Four-Body Problem in Hyperspherical Coordinates M. W. Cadilhe and J. J. Soares Neto Molecular Shape, Shape of the Geometrically Active Atomic States, and Hybridization Y¥. Komninos and C. A. Nicolaides Complete One- and Two-Center Partitioning Scheme for the Total Energy in the Hartree-Fock Theory H. Ichikawa and A. Yoshida Properties, Dynamics, and Electronic Structure of Atoms and Molecules Reaction Pathways for Model II-VI Precursors: A Computational Study T. R. Cundari and Wentao Fu Semiempirical Studies of Ring Twisting in cis-Stilbene and Related Biomolecules R. R. Monaco, W. C. Gardiner, and S. Kirschner Compton Profiles and Polarizability as Two Similar Probes of the Electronic Structure of 14 Electron Diatomic Molecules: An Ab Initio Study M. Mérawa, M. Rérat, and A. Lichanot Collisional Reorientation of Symmetric-Top Molecules in Stark Fields W.-P. Hu, S. A. Harris, P. W. Harland, and L. F. Phillips Coherent Positronium Molecule Ps, and Scanning Clustering Microscopy H. Ikegami Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters A Quantum-Mechanical Study of Oxidized Oligopyrroles ESL I I eg ois kv keh iddvcsectcrwansas 101 Application of the Field-Theoretic Method of Bohm and Pines to a Study of the Metal-Iinsulator Transition in Doped Dielectric Media L. J. Dunne Issue No. 2, 1999 Theoretical and Computational Developments Approximation to Wave Functions, Energies, and Energy Derivatives for Molecular Systems Based on Distribution Theory G. E. Moyano and J. L. Villaveces The Electron-Pair Origin of Antiaromaticity: Spectroscopic Manifestations S. Zilberg and Y. Haas Higher Order Finite Element Solution of the One-Dimensional Schrédinger Equation Properties, Dynamics, and Electronic Structure of Atoms and Molecules Theoretical Study of Water Coverage on MgO Surfaces A. L. Almeida, J. B. L. Martins, C. A. Taft, E. Longo, and EE ficisdeccigutienidedcndssGopewadsatecabawenl 153 Torsional Symmetry Dependence of S; Dynamics in Molecules that Undergo Methyl Internal Rotation D. C. Moule, R. H. Judge, H. Liu, and E. C. Lim Electron Correlation and Structure Dependencies of the Second Hyperpolarizability of Ethylene S. Yamada, M. Nakano, H. Nagao, and K. Yamaguchi Improved Upper Bounds for the Atomic lonization Potential J. C. Angulo and E. Romera Modified Hybridization Displacement Charge Scheme for m-Electron Systems: Study of Molecular Electrostatic Potential Maps P. C. Mishra and A. Kumar Lie Algebraic Approach to Multiphoton Excitation of Diatomic Molecules in Intense Laser Fields Y. Dai and S.-L. Ding On the Application of Conventional Quantum Chemistry Methods of Computation to States Perturbed by the Continuous Spectrum C. A. Nicolaides Book Review Mathematics for Chemistry. By Graham Doggett and Brian T. Sutcliffe M. C. Zerner issue No. 3, 1999 Theoretical and Computational Developments Resistance Distance in Regular Graphs |. Lukovits, S. Nikolié, and N. Trinajstié Computing a Molecule in Its Environment: A Mathematical Viewpoint M. Defranceschi and C. Le Bris Dynamic Hyperpolarizabilities in Mgller-Plesset Perturbation Theory M. Shiga, F. Aiga, and K. Sasagane Properties, Dynamics, and Electronic Structure of Atoms and Molecules Theoretical Study on the Gas-Phase Reactivity of Halogenated Alkylperoxyl Radicals Toward Alkenes S. El-Taher Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters Contribution to the Theory of High-Temperature Superconductivity in YBaz2Cu307 D. Wechsler and J. Ladik issue No. 4, 1998 Theoretical and Computational Developments Numerical Coupled Liouville Approach: Application to Second Hyperpolarizability of Molecular Aggregate M. Nakano, S. Yamada, H. Nagao, and K. Yamaguchi Accurate Adapted Gaussian Basis Sets for the Atoms from H Through Xe F. E. Jorge and E. P. Muniz Properties, Dynamics, and Electronic Structure of Atoms and Molecules DFT Studies on TinCan (n = 1-6) Clusters M. Ge, J. Feng, C. Yang, Z. Li, and C. Sun Bonding in Benzene Methylene Isomers: Modern VB Study Using Spin-Coupled Theory J. M. Oliva CAS-SCF and Density Functional Calculations of Second Hyperpolarizabilities for a Nitronyl Nitroxide Radical S. Yamada, M. Nakano, and K. Yamaguchi Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters Quantum Chemistry of Quantum Size-Effects in Semiconductors: Small Clusters Electronic Structure Calculations Volume-Dependent Potential Approach for Tungsten G. Davidov, D. Fuks, S. Dorfman, and G. L. Krasko Molecular Structure, Dynamics, and Function of Biological Systems Classification of Polymer Structures by Graph Theory S. M. Patra and S. Vishveshwara Book Review Coulomb Interactions in Nuclear and Atomic Few-Body Collisions. By Frank S. Levin and David A. Micha, Eds. H. J. Monkhorst issue No. 5, 1998 Theoretical and Computational Developments Generalized Relativistic Effective Core Potential: Theoretical Grounds A. V. Titov and N. S. Mosyagin Properties, Dynamics, and Electronic Structure of Atoms and Molecules Multiple Cluster Model (MCM) for Surface Reaction Systems F. Aiga and T. Tada Molecular Structure, Dynamics, and Function of Biological Systems Neuroleptic and Antidepressant Tricyclic Compounds: Theoretical Study for Predicting Their Biological Activity by Semiempirical, Density Functional, and Hartree-Fock Methods J. A. Cogordan, M. Mayoral, E. Angeles, R. A. Toscano, and R. Martinez Comparative Study of the Electronic Structure of Pregnanolones by Ab Initio Theory C. Kubli-Garfias Book Review Fuzzy Logic in Chemistry. By D. H. Rouvray, Ed. H. J. Monkhorst issue No. 6, 1998 Theoretical and Computational Developments Description of Correlated Densities for Few-Electron Atoms by Simple Functional Forms |. Porras and F. Arias de Saavedra A Nonlinear Programming Approach to Lower Bounds for the Ground-State Energy of Helium |. Porras, D. M. Feldmann, and F. W. King Generalized Potentials: Free Particle, Harmonic, and Morse Partner Potentials J. Moraies, J. J. Pefia, G. Ovando, and V. Gaftoi Electron Correlations in Kohn-Sham Exchange-Only Theory V. Sahni and M. Slamet Properties, Dynamics, and Electronic Structure of Atoms 2nd Molecules High Level Ab Initio Computational Study of Doublet and Quartet Nitrogen Reaction with Methane B. S. Jursic Analytical Hartree-Fock Wave Functions Subject to Cusp and Asymptotic Constraints: He to Xe, Lit to Cs*, H~ to I- T. Koga, K. Kanayama, S. Watanabe, and A. J. Thakkar Structural, Vibrational, and Bonding Analysis of Mz—SiO (M = Li or Ag) Using Density Functional Theory M. E. Alikhani Quantum-Chemical Structure-Affinity Studies on Kynurenic Acid Derivatives as Gly/NMDA Receptor Ligands J. S. Gémez-Jevia and L. Lagos-Arancibia Book Review Path Integral Methods. By T. Kashiwa, Y. Ohnuki, and M. Suzuki E. Deumens Volume Title Page Author Index Subject Index Volume Table of Contents