Journal of Molecular Structure THEOCHEMR. F. W. Bader, Atoms in Molecules - A Quantum Theory, Oxford University Press, Oxford, UK, 1990.R. Bader, Atoms in Molecules: A Quantum Theory, Oxford, Oxford, 1990.R.F.W. Bader, Atoms in Molecules: A Quantum Theory, Oxford University Press, ...
"Overall, Atoms in Molecules: A Quantum Theory is a very comprehensive monograph that I would strongly recommend not just to quantum chemists but also to anyone interested in a systematic and mathematically rigorous approach to understanding chemical and physical properties of molecules. Those who are...
Quantum-Mechanical Theory of Atoms in Molecules: A Relativistic Formulation Quantum-mechanical theory of atoms in molecules: A relativistic formulation. In Fundamentals of Molecular Similarity; Carbo´-Dorca, R.; Girone´s, X.; Mezey, P.G., Eds.; Kluwer Academic Publishers: New York, 2001;...
first time - to show that a theory can be developed to underpin the molecular structure hypothesis - that the atoms in a molecule are real, with properties predicted and defined by the laws of quantum mechanics can be incorporated into the resulting theory - a theory of atoms in molecules. ...
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...
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 ...
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 (...
出版年:2007-3 页数:567 定价:2642.00元 装帧:HRD ISBN:9783527307487 豆瓣评分 目前无人评价 评价: 写笔记 写书评 加入购书单 分享到 内容简介· ··· This book distills the knowledge gained from research into atoms in molecules over the last 10 years into a unique, handy reference. Through...
作者:boyd 出版社:wiley 出版时间:2007-00-00 印刷时间:0000-00-00 ,购买the quantum theory of atoms In molecules 精 2052分子中原子的量子理论等外文旧书相关商品,欢迎您到孔夫子旧书网
Applications of the Quantum Theory of Atoms in Molecules in Organic Chemistrys Charge Distribution, Conformational Analysis and Molecular Interactions. In The Quantum Theory of Atoms in Molecules; Matta, C. F., Boyd, R. J., Eds.; Wiley-VHC: Weinheim, 2007....