Atoms in Molecules 作者:Richard F. W. Bader 出版社:Oxford University Press, USA 副标题:A Quantum Theory (The International Series of Monographs on Chemistry, No 22) 出版年:1994-06-07 页数:456 定价:USD 129.50 装帧:Paperback ISBN:9780198558651...
Boyd The Quantum Theory of Atoms in Molecules_ From Solid State to DNA and Drug Design 2007 星级: 570 页 Quantum motion of atoms confined in an optical lattice 星级: 6 页 Quantum localization of hydrogen atoms in solids 星级: 5 页 Quantum motions of ultracooled atoms in resonant ...
This investigation uses atomic properties derived from the quantum theory of atoms in molecules formalism to rationalize the infrared intensity of the stretching vibration that arises as a Lewis base (B) is protonated (B‐H mode). Moreover, the interacting quantum atom (IQA) partition is employed...
This book distills the knowledge gained from research into atoms in molecules over the last 10 years into a unique, handy reference. Throughout, the authors address a wide audience, such that this volume may equally be used as a textbook without compromising its research-oriented character. Clea...
Those who know the theory and would like to have a convenient compendium with all the relevant equations and references handy will be equally satisfied.." --Science "This book constitutes an authoritative and rigorous treatment of the quantum mechanics of atoms in molecules. . . .Mathematical ...
Yang, Density-Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1989). W. Kohn and L.J. Sham, Phys. Rev. 140, A1133 ... John P. Perdew,Stefan Kurth - 《Lecture Notes in Physics》 被引量: 188发表: 2003年 A quantum trajectory description of decoherence A ...
By leveraging the fundamental doctrine of the quantum theory of atoms in molecules — the partitioning of the electron charge density (ρ) into regions bounded by surfaces of zero flux — we map the gradient field of ρ onto a two-dimensional space called the gradient bundle condensed charge ...
The quantum theory of atoms in molecules (QTAIM) uses physics to define an atom and its contribution to observable properties in a given system. It does so using the electron density and its flow in a magnetic field, the current density. These are the two fields that Schrödinger said shou...
A vector‐based representation of the chemical bond is introduced, which we refer to as the bond‐path framework set B =?{p, q, r}, where p, q, and r represent 3 eigenvector‐following paths with corresponding lengths H*, H, and the familiar quantum theory of atoms in molecules (...