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
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