Concepts, Methods and Applications of Quantum Systems in Chemistry and Physics, Softcover reprint of the original 1st ed. 2018 Selected proceedings of QSCP-XXI (Vancouver, BC, Canada, July 2016) Progress in Theoretical Chemistry and Physics Series, Vol. 31
Langue : Anglais
This edited, multi-author volume contains selected, peer?reviewed contributions based on the presentations given at the 21th International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXI), held in Vancouver, Canada, in July 2016.
This book is primarily aimed at scholars, researchers and graduate students working at universities and scientific laboratories and interested in the structure, properties, dynamics and spectroscopy of atoms, molecules, biological systems and condensed matter.Part I. Quantum Chemistry Methodology
A Portal for Quantum Chemistry Data Based on the Semantic Web
Matrix Elements for Explicitly-Correlated Atomic Wave Functions
Effective Bond-Strength Indicators
Advanced Relativistic Energy Approach in Electron Collisional Spectroscopy of Multicharged Ions in a Debye Plasma
Relativistic Quantum Chemistry and Spectroscopy of Exotic Pionic Atomic Systems with Accounting for Strong Interaction Effects
Part II. Molecular Structure and Dynamics
Difference of Chirality of the Electron Between Enantiomers of H2X2
A Crystallographic Review of Alkali Borate Salts and Ab initio Study of Borate Ions / Molecules
An Ab initio Study of Boric Acid, Borate, and their Interconversion
Construction of a Potential Energy Surface based on a Diabatic Model for Proton Transfer in Molecular Pairs
Ab initio Investigations of Stable Geometries of the Atmospheric Negative Ion NO3-(HNO3)2 and its Monohydrate
A Theoretical Study of Covalent Bonding Formation Between Helium and Hydrogen
Small Rhodium Clusters: a HF and DFT Study - III
Spectroscopy of Radiative Decay Processes in Heavy Rydberg Alkali Atomic Systems
Enhancement Factors for Positron Annihilation on Valence and Core Orbitals of Noble-Gas Atoms
Geometric Phase and Interference Effects in Ultracold Chemical Reactions
Part III. Biochemistry and Biophysics
Adducts of Arzanol with Explicit Water Molecules: an Ab initio and DFT Study
Computational Study of Jozimine A2, a Naphthylisoquinoline
Alkaloid with Antimalarial Activity
Part IV. Fundamental Theory
Functional Derivatives and Differentiability in Density-Functional Theory
The Dirac Electron and Elementary Interactions: the Gyromagnetic Factor, Fine-Structure Constant, and Gravitational Invariant - Deviations from Whole Numbers
A Simple Communication Hypothesis: the Process of Evolution Reconsidered
Includes state-of-the-art contributions featuring quantum chemistry from leaders in the field
Contains interdisciplinary content with a wide appeal
Of interest to experimentalists as well as theoreticians
Date de parution : 12-2018
Ouvrage de 407 p.
15.5x23.5 cm
Date de parution : 05-2018
Ouvrage de 407 p.
15.5x23.5 cm
Thème de Concepts, Methods and Applications of Quantum Systems in... :
Mots-clés :
Molecular structure; Molecular dynamics; Condensed matter systems; Molecular spectroscopy; Quantum chemistry; Molecular structure and dynamics; Atoms and molecules in strong fields; QSCP-XXI; Quantum calculations biology; Computational chemistry; relativistic quantum chemistry; quantum chemistry methodology; Ab initio investigations; DFT study; Density functional theory; ab initio study
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