Advances in Quantum Chemistry :A Tribute Volume in Honour of Professor Osvaldo Goscinski ( Volume 47 )

Publication subTitle :A Tribute Volume in Honour of Professor Osvaldo Goscinski

Publication series :Volume 47

Author: Brandas   Erkki J.;Kryacho   Eugene  

Publisher: Elsevier Science‎

Publication year: 2004

E-ISBN: 9780080560625

P-ISBN(Paperback): 9780120348473

P-ISBN(Hardback):  9780120348473

Subject: O6 Chemistry;O6-0 chemical principle and method

Language: ENG

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Description

Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, and chemistry. With invited reviews written by leading international researchers, as well as regular thematic issues, each volume presents new results and provides a single vehicle for following progress in this interdisciplinary area.

Volume 47 is a tribute in honor of Professor Osvaldo Goscinski. The volume will look at the accomplishments of a man who has led a remarkable development within the field and developed and strengthened scientific networks in Quantum Chemistry and Chemical Physics.

  • Provides a tribute in honor of Professor Osvaldo Goscinski, a man who has led a remarkable development within the field

Chapter

Cover

pp.:  1 – 5

Contents

pp.:  5 – 13

Contributors

pp.:  13 – 17

Preface

pp.:  17 – 19

To My Colleagues

pp.:  19 – 23

Development of Chiral Catalysts for Stereoselective Synthesis by Deprotonations - Experimentation in Interplay with Computational Chemistry

pp.:  31 – 53

Proton Insertion in Polycrystalline WO3 Studied with Electron Spectroscopy and Semi-empirical Calculations

pp.:  53 – 67

On the Effects of Spin-Orbit Coupling on Molecular Properties: Dipole Moment and Polarizability of PbO and Spectroscopic Constants for the Ground and Excited States

pp.:  67 – 81

Is There a Favorite Isomer for Hydrogen-Bonded Methanol in Water?

pp.:  81 – 95

Validation of the Applicability of Force Fields to Reproduce Ab Initio Noncovalent Interactions Involving Aromatic Groups

pp.:  95 – 123

Are Jordan Blocks Necessary for the Interpretation of Dynamical Processes in Nature?

pp.:  123 – 137

Antisymmetrized Geminal Power Coherent States

pp.:  137 – 159

Current Methods for Coulomb Few-Body Problems

pp.:  159 – 187

Atomic Densities, Polarizabilities, and Natural Orbitals Derived from Generalized Sturmian Calculations

pp.:  187 – 207

Electric Field Gradient Effects on Magnetic Susceptibility

pp.:  207 – 223

Singularity Structure of Møller–Plesset Perturbation Theory

pp.:  223 – 239

Approximate Inclusion of the T 3 and R 3 Operators in the Equation-of-motion Coupled-cluster Method

pp.:  239 – 253

Operator Algebra: From Franck–Condon to Floquet Theory

pp.:  253 – 269

On the Alleged Nonlocal and Topological Nature of the Molecular Aharonov–Bohm Effect

pp.:  269 – 283

Calculation of Cross Sections in Electron-Nuclear Dynamics

pp.:  283 – 305

Generalized Electronic Diabatic Ansatz: A Post-Born–Oppenheimer Approach to Electronuclear Dynamics in External Fields

pp.:  305 – 323

The Quantum–Classical Density Operator for Electronically Excited Molecular Systems

pp.:  323 – 345

The Generator Coordinate Method for Atomic and Molecular Systems: Revision and Further Developments

pp.:  345 – 361

Hybrid Quantum/Classical Dynamics Using Bohmian Trajectories

pp.:  361 – 377

The Hückel Model of Polyacetylene Revisited: Asymptotic Analysis of Peierls Instability

pp.:  377 – 399

Conjugated Polymers in External DC Fields

pp.:  399 – 423

Atoms, Molecules, Crystals and Nanotubes in Laser Fields: From Dynamical Symmetry to Selective...

pp.:  423 – 453

Small Gold Clusters Au5

pp.:  453 – 495

Positron–Electron Annihilation in Hydrogen–Antihydrogen Collisions

pp.:  495 – 511

Index

pp.:  511 – 517

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