In this paper, we discuss the theoretical and experimental aspects of molecular orbital tomography in N-2 and investigate the influence of multi-channel ionization on the orbital imaging. By analyzing the harmonics' spectral phase as a function of the driving laser intensity, we address two ...
欲了解化学分子中电子分布的情况,目前较完整的理论即是分子轨域理论(Molecular Orbital Theory).通常在大一的普通化学课程内容中会作简单的介绍,其实在高中化学课程中也已具有σ键、π键的概念了,只是不甚完整.而普化内容中仅谈到最简单的双原子分子,当分子变大或其中所含原子数目较多时,分子轨域很快就变得很复杂....
欲了解化学分子中电子分布的情况,目前较完整的理论即是分子轨域理论(Molecular Orbital Theory).通常在大一的普通化学课程内容中会作简单的介绍,其实在高中化学课程中也已具有σ键、π键的概念了,只是不甚完整.而普化内容中仅谈到最简单的双原子分子,当分子变大或其中所含原子数目较多时,分子轨域很快就变得很复杂....
MO法（Molecular Orbital theory）是一种用来预测分子性质的理论模型 它建立在电子结构理论的基础上，根据分子的电子结构来预测分子的性质 在用MO法预测下列双原子分子或离子哪个最稳定时，应当先考虑它们的电子结构 根据MO法，分子或离子的稳定性与其电子结构有很大的关系 C2+：C2+是一个离子，它的结构为...
轨道(bonding molecular orbital),如σ、π轨道(轴对称轨道);同时,这些对称性匹配的两个... 分子轨道叫做非键分子轨道。扩展资料原子在形成分... 观察苯分子中π轨道的成键和反键轨道,以及金属中的s,p和d轨... 金属原子轨道和苯π轨道和它们的对称性如下图所示。 如果画一个完整混合示意图... 分子轨道重叠...
method with molecular orbitals optimized by complete active space self-consistent field method45,46,47. Here the active space consists of all valence orbitals and totally about 1000 reference configuration state functions are considered in configuration interaction calculations. The orbital wave functions ...
In O2 adsorption, complicated π orbital interactions between the cluster and O2 dominate to form side-on complexes with relatively larger binding energies. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012doi:10.1002/qua.23200Ya Kun Chen...
This is because when a nitrogen molecule is exposed to an intense laser field, the ejection of an outer valence electron in the highest occupied molecular orbital (HOMO) of N2 leaves the ion N2+ in the ground X2Σg+ state, whereas the ejection of an inner-valence electron in the HOMO-...
sorry about that not being a molecular orbital diagram... i saw orbital and immediately thought electron configuration to save confusion, could you please use the superscript and subscript buttons to insure we're clear as to what you are trying to say (i.e. N2+) ...
structure models so that UV-vis absorption spectra reproduced from molecular orbital calculation DV-Xα fitted to the experimentally obtained component spectra... T Ozeki,Y Kinoshita,H Adachi,... - 《Bulletin of the Chemical Society of Japan》 被引量: 22发表: 1994年 Estimation of Dissolved Stru...