Quantum theory in organic chemistry: Electronic structure and chemical reactivity of (π‐allyl)palladium complexesorbital interactionscorresponding orbitalsπ‐allyl complexesLewis acidab initio MOBy taking the palladium-catalyzed additions of nucleophiles to the coordinated allyls, we discuss the effect o...
量子控制论chemistry化学相干theory 收稿:2004年6月,收修改稿:2004年12月!通讯联系人e-maiI:dydong@263.net量子控制论在化学中的应用董道毅!陈宗海(中国科学技术大学自动化系合肥230027)摘要控制量子现象是化学研究中的一个重要目标,量子控制论对实现该目标具有积极的指导意义。本文综述了量子控制论在化学中的应用及其...
quantum chemistry 应用量子力学的基本原理和方法研究化学问题的物理化学分支学科。1927年W.H.海特勒和F.W.伦敦用量子力学基本原理讨论氢分子结构问题,说明了两个氢原子能够结合成一个稳定的氢分子的原因,并且利用相当近似的计算方法,算出其结合能约为实验值的2/3。由此,使人们认识到可以用量子力学原理讨论分子结构...
Advances in the Theory of Quantum Systems in Chemistry and Physics 物理 基础物理 第2页 小木虫 论坛
Quantum theory in organic chemistry: Electronic structure and chemical reactivity of (π‐allyl)palladium complexes 来自 Wiley 喜欢 0 阅读量: 28 作者:H Fujimoto,T Suzuki 摘要: By taking the palladium-catalyzed additions of nucleophiles to the coordinated allyls, we discuss the effect of ancillary ...
量子力学是物理学中的一个基本理论,它在原子和亚原子粒子的尺度上描述了自然界的物理特性。[2] 它是包括量子化学、量子场论、量子技术和量子信息科学在内的所有量子物理学的基础。 经典物理学是量子力学出现之前存在的理论集合,在普通(宏观)尺度上描述了自然界的许多方面,但不足以在小尺度(原子和亚原子)上描述它...
Early quantum theory was significantly reformulated in the mid-1920s by Werner Heisenberg, Max Born and Pascual Jordan (matrix mechanics); Louis de Broglie and Erwin Schrodinger (wave mechanics); and Wolfgang Pauli and Satyendra Nath Bose (statistics of subatomic particles). Moreover, the Copenhage...
Quantum Chemistrybecame recognized as an academic discipline in its own right at Uppsala University with the establishment of a chair in the subject. Löwdin was appointed to the chair in 1960, the same year that he founded an interdisciplinary research institute, the Quantum Theory Project for ...
In this section the principles are reviewed from which de Broglie developed his mechanics; this allows the book to be read by chemistry majors and freshmen alike. However, we believe that it may also be of interest to university-and college teachers who must include certain aspects of quantum ...
*Discusses in detail conformational searching; molecular electrostatic potentials and atomic charges; and calculation of solvent effects; has greatly expanded treatments of density functional theory; geometry optimization; the MNDO, AM1, and PM3 methods; and molecular mechanics. 下载提醒:APP中打开可...