electronepair repulsion theory Electron-pair repulsion theory(电子对互斥理论)是描述分子几何构形的一种方法,尤其是在描述简单分子形状时的重要依据。这个理论的基本原理是,在分子中,电子对会互相排斥,以使分子处于能量最低的状态。这种排斥作用会导致分子的几何构形具有对称性和可预测性。 该理论的应用包括: 1....
on site electron electron repulsiondoubly occupied site/ A7130 Metal-insulator transitions and other electronic transitions A7170G Exchange interactions (condensed matter)It is shown that more distant electron interactions strongly affect the self energy of a doubly occupied or vacant site in a half ...
The repulsion between the electrons makes it energetically more favorable for the electron to each other. 电子间的排斥有力地促使电子互相回避. 辞典例句 Electron micrograph ofplasmid pCBI shows the new plasmidis 5.77±0.30μ m in length equivalentto 11.9×10~6 dalton. 电镜观察到环状pCBIDNA并 测得...
The electron repulsion integrals arising in LCAO-MO theory are approximated by replacement of the product of two orbitals on different centers by linear combinations of one-center products. The approximation differs from those previously... FE Harris,R Rein - 《Theoretica Chimica Acta》 被引量: 64...
repulsion n. 1.击退;反驳 2.拒绝 3.嫌恶 4.【物】排斥作用 one pair n. 二楼的房间 satellite pair 伴偶 pair annihilation 正负电子对湮没 pair oar n. 双桨艇 base pair 碱基对 ion( )pair 离子对,离子偶 pair point 偶点 twisted pair 双绞线 最新单词 best bet是什么意思 最佳抉择,最...
来源期刊 Physical Review B 研究点推荐 strong electron-electron repulsion Electron-phonon interactions electron-phonon interaction strong correlations 引用走势 2000 被引量:28 0关于我们 百度学术集成海量学术资源,融合人工智能、深度学习、大数据分析等技术,为科研工作者提供全面快捷的学术服务。在这里我们保持...
valence-shell electron pair repulsion theory 英 [ˈvæləns ʃel ɪˈlektrɒn peə(r) rɪˈpʌlʃn ˈθɪəri] 美 [ˈveɪləns ʃel ɪˈlektrɑːn per...
One way to deal with the specific geometry of a molecule is to return to Coulomb's law, that is, to look at electron–electron repulsion. VSEPR is such an electrostatic theory of bonding. As with Lewis dot structures, it ignores specific orbitals. The observed geometry reflects the attempt ...
A new series of ligands called spherands are similar to the crowns and cryptands. However, the cavity formed by the oxygen shell can be occupied only by spherical entities such as single atoms or monatomic ions. A cyclohexamato phenylene system provides a framework which holds the oxygen of ...
(GPUs) can be used very efficiently to calculate two-electron repulsion integrals over Gaussian basis functions [Formula: see text] the first step in ... IS Ufimtsev,TJ Martínez - 《Journal of Chemical Theory & Computation》 被引量: 521发表: 2008年 Density functionals and dimensional renormaliz...