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· 제목 : Concepts, Methods and Applications of Quantum Systems in Chemistry and Physics: Selected Proceedings of Qscp-XXI (Vancouver, Bc, Canada, July 2016) (Paperback, Softcover Repri)
· 분류 : 외국도서 > 과학/수학/생태 > 과학 > 화학 > 물리화학
· ISBN : 9783030090289
· 쪽수 : 407쪽
· 출판일 : 2018-12-19
· 분류 : 외국도서 > 과학/수학/생태 > 과학 > 화학 > 물리화학
· ISBN : 9783030090289
· 쪽수 : 407쪽
· 출판일 : 2018-12-19
목차
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
