Springer International Publishing AG, 2017. — 469 p. — (Progress in Theoretical Chemistry and Physics 30) — ISBN: 9783319502540.This book reviews the most significant developments in quantum methodology applied to a broad variety of problems in chemistry, physics, and biology. In particular, it discusses atomic and molecular structure, dynamics and spectroscopy as well as applications of quantum theory to biological and condensed matter systems. The volume contains twenty-four selected, peer-reviewed contributions based on the presentations given at the Twentieth International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XX), held in Varna, Bulgaria, in September 2015. It is divided into five sections containing the most relevant papers written by leading experts in the fields. This book will appeal to advanced graduate students, researchers, and academics involved in theoretical, quantum or statistical and computational chemical physics and physical chemistry. Table of contents Towards the Inclusion of Dissipative Effects in Quantum Time-Dependent Mean-Field Theories On the Ordering of Orbital Energies in the ROHF Method: Koopmans’ Theorem versus Aufbau Principle Spin Effects in sp 2 Nanocarbons in the Light of Unrestricted Hartree-Fock Approach and Spin-Orbit Coupling Theory Population Analyses Based on Ionic Partition of Overlap Distributions Topological Quantum Computation with Non-Abelian Anyons in Fractional Quantum Hall States Dimer Interacting with He Atoms: Quantum Structures of Small Clusters and Reactive Scattering Calculations Rb + RbHe + He at Ultralow and Intermediate Energies Water Structuring at Non-Polar Fluid Interfaces Molecular Design of Organometallic Materials: Effect of the Metallophilic Interactions, Ligand, Metal, and Oxidation State Electrodynamical and Quantum Chemical Modelling of Electrochemical and Catalytic Processes on Metals and Semiconductors: A Review Non-Linear Chaotic Dynamics of Quantum Systems: Molecules in an Electromagnetic Field and Laser Systems Landau Quantisation of Electron Motion in the Crust of Highly Magnetised Neutron Stars Electronic and Nuclear Dynamics for a Non-Equilibrium Electronic State: The Ultrafast Pumping of N2 On the Inter-Ring Torsion Potential of 2,2′-Bithiophene: A Review of Open Problems and Current Proposals Theoretical Exploration of the Vibrational Structure and IVR of S0 Thiophosgene at High Excitation Energies Why is the “Donor-Acceptor” Stretching a sine qua non in Understanding the Vibrational Signatures of Ionic Hydrogen Bonds? Relativistic Many-Body Perturbation Theory Calculations of the Hyperfine Structure and Oscillator Strength Parameters for Some Heavy Element Atoms and Ions Effects of Isotope Characteristics on the Electron System Ground State Energy of Helium-Like Ions Computational Study of Michellamines: Naphthylisoquinoline Alkaloids with Anti-HIV Activity Integrated Computational Studies on Mutational Effects of a Nylon-Degrading Enzyme Damage Induced by Proton Collisions on Building Blocks of Life How Can the Green Sulfur Bacteria in the Depths of the Black Sea Use Quantum Computing for Light Harvesting? The Dirac Operator in Quantum Chemistry and Physics A Coherent Resonant Cosmology Approach and its Implications in Microphysics and Biophysics The Origin and Evolution of Complex Enough Systems in Biology
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