1. 近代价键理论 chapter8... ... 杂化),所以 SO 3 二、近代价键理论 Modern Valence Bond Theory 1. 四、键参数 Bond References 1. ... www.docin.com|基于7个网页 例句 释义: 全部,近代价键理论 更多例句筛选 1. Theory of hybrid atomic orbital is part of modern valence bond theory and a ...
Raimondi, Modern valence bond theory. In: Advances in Chemical Physics: Ab intio Methods in Quantum Chemistry-II, vol. LXIX, ed. by K.P. Lawley (Wiley, London, 1987), pp 319-397Gerratt, J. (1987). Modern valence bond theory: was Kekule right? Chem. Br. 23, 327-330....
掌握现代价键理论(modern 重点 1. 掌握现代价键理论(modern valence bond theory )的要点 键和键的特点Chapter 2分子结构与晶体结构 Molecular structure and crystal structure
Valence-bond theoryThe electronic mechanism for the gas-phase 1,3-dipolar cycloaddition of fulminic acid (HCNO) to ethyne is studied through a combination of modern valence-bond theory in its spin-coupled (SC) form and intrinsic reaction coordinate calculations utilizing a complete-active-space ...
Modern valence-bond theory, in its spin-coupled (SC) form, is used to investigate the nature of the bonding in the tetramer of methyllithium. In keeping with previous studies, the system is found to be predominantly ionic, in the sense (CH3–)4(Li+)4, but it exhibits some delocalisatio...
A modern valence bond strategy is described which treats properly the overlap between the fragments whilst avoiding basis set superposition error. Various aspects of the approach are illustrated with recent results for the highly anisotropic atom–diatom potential of the LiH … He system.Analogous ...
wave functions/ biorthogonal optimisation methodnonsymmetrical optimizationvalence bond wavefunctionimplementationactive electronsAn implementation of a biorthogonal approach to modern valence bond calculations is presented, emphasizing the problems associated with larger numbers of active electrons. A full treatment...
11.Postulates and History of Valence Band Theory (VBT) 机译:价能带理论(VBT)的假设和历史 作者:Mazumdar Gupta 期刊名称:《Modern Chemistry & Applications》|2022年第4期 12.Concepts of Catalysis in Medicinal Inorganic Chemistry 机译:药物无机化学中的催化概念 ...
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The first metal-olefin complexes were prepared almost a century and a half ago, but they were very poorly understood until recent years, when modern valence theory threw new light upon them. Three types of these complexes have long been known: (i) Salt-like complexes, exemplified by Zeise'...