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

ISBN-13: 9780120348473 / Angielski / Twarda / 2004 / 550 str.

Erkki Brandas; Eugene Kryacho; Erkki J. Brandas

Opis

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

Spis treści

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

Proton Insertion in Polycrystalline WO₃ Studied with Electron Spectroscopy and
Semiempirical Calculations.

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

Validation of the Applicability of Force Fields to Reproduce Ab Initio Noncovalent Interactions Involving Aromatic Groups in Proteins.
Are Jordan Blocks Necessary for the Interpretation of Dynamical Processes
in Nature?

Antisymmetrized Geminal Power Coherent States.

Current Methods for Coulomb Few-Body Problems.


Electric Field Gradient Effects on Magnetic Susceptibility.

Approximate Inclusion of the T₃ and R₃ Operators in the Equation-of-Motion Coupled Cluster Method.

Calculation of Cross Sections in Electron-Nuclear Dynamics.

Generalized Electronic Diabatic Ansatz: A Post Born-Oppenheimer Approach to Electronuclear Dynamics in External Fields.
The Generator Coordinate Method for Atomic and Molecular Systems: Revision and Further Developments.

Hybrid Quantum/Classical Dynamics Using Bohmian Trajectories.

Conjugated Polymers in External DC Fields.
Atoms, Molecules, Crystals and Nanotubes in Laser Fields: From Dynamical Symmetry to Selective High-Order Harmonic Generation of Soft X-Rays.