属性2 HOMO/LUMO 属性3 电荷分布 属性4 解离能 属性5 势能面扫描 属性6 光谱预测 属性7 能量计算 可售卖地 北京;天津;河北;山西;内蒙古;辽宁;吉林;黑龙江;上海;江苏;浙江;安徽;福建;江西;山东;河南;湖北;湖南;广东;广西;海南;重庆;四川;贵州;云南;西藏;陕西;甘肃;青海;宁夏;新疆 价格说明 价格...
表1. 不同骨架Pictet-Spengler反应亚胺中间体的LUMO和HOMO轨道能 如图4所示,随着LUMO和HOMO之间的能量差逐渐增大,需要更高的温度或者更强的酸才能发生环化反应[2]。当能量差超过约9 eV的阈值时,则无法让反应进行。 图4. LUMO-HOMO 能量差解释不同底物发生Pictet-Spengler反应的难易程度 ...
In subject area: Chemistry "The HOMO-LUMO gap is the \energy gap"" between the highest occupied and lowest unoccupied molecular orbital (HOMO) (LUMO).""" From: Sensors and Actuators Reports, 2023 About this pageSet alert Discover other topics On this page Definition Chapters and Articles Rela...
引入醌式结构后分子两边确实更不像给体了，但是也没有完全变成受体，因为HOMO、LUMO在整个分子各个环上...
The HOMO and LUMO In The Diels Alder Reaction Today we’re going to go into the mechanism of the Diels-Alder reaction from a molecular orbital perspective. Using our previous posts on how to build up molecular orbitals, we’ll show how the Diels-Alder results from the constructive orbital ...
By analyzing the molecular orbitals of the diene and dienophile in the Diels-Alder reaction, it becomes clear that constructive overlap is possible between the highest-occupied molecular orbital (HOMO) of thedienewith the lowest-unoccupied molecular orbital (LUMO) of thedienophile. ...
利用HOMO、碳谱、卤代正离子相对能量预测亲电反应位点 首先我们要解决的是芳香亲电反应的位点问题[2,3]。在前面的 药明康德市场部:如何利用HOMO预测各类底物的亲电取代产物?3 赞同 · 0 评论文章 小课堂中,我们学习了利用HOMO来预测芳香亲电反应的位点,还有计算碳原子的核磁共振谱图,两者结合给出进一步的判断。那我们...
本帖最后由 驹友麟 于 2024-9-6 11:40 编辑 计算的铁碳催化剂的HOMO和LUMO时，用VASPKIT计算得到...
M. L. TANGA. D. REICHARDTP. WEIZ. BAOSynfacts: highlights in current synthetic organic chemistry
homo lumo测试方法-回复 HOMO-LUMO Test Method: A Step-by-Step Guide Introduction: In the field of chemistry, the HOMO-LUMO test method is a widely used technique to determine the energies and electronic transitions of molecular orbitals. HOMO (Highest OccupiedMolecular Orbital) and LUMO (Lowest ...