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 laser ...
Atoms in Molecules: A Quantum Theory.Cioslowski, Jerzy
《Atoms in Molecules》是Oxford University Press, USA出版的图书，作者是Richard F. W. Bader 内容简介 It is the purpose of this important book - now available in paperback for the first time - to show that a theory can be developed to underpin the molecular structure hypothesis - that the ...
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 ...
Atoms in Molecules — a Quantum Theory: Richard F.W. Bader, Clarendon Press, Oxford, U.K. 1994, 438 pp., 25 It is generally true that quantum chemists would like to perform all calculations to the highest possible accuracy. However, this is often computationally feasible only for small sys...
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...
Richard F. W. Bader 图书标题:Atoms in Molecules: A Quantum Theory 出版社:Clarendon Press 出版...
In this work, we will study the problem from the perspective of the Quantum Theory of Atoms in Molecules (QTAIM), proposed by Richard Bader in the nineties. The purpose of this article is to unveil the role of QTAIM in the inter-theoretical relations between chemistry and physics. We argue...
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 (...
Quantum-mechanical analysis of the equation of state of anatase ${\\mathrm{TiO}}_{2}$ The topology of the electron density is examined by means of the atoms in molecules (AIM) theory. Computed AIM charges and topological properties of the bond critical points reveal a partially ionic behavio...