在算的Gaussian输出文件中，有Alpha和Beta两个轨道怎么看HOMO和LUMO呢。HOMO是取他俩中最大的，LUMO是...
homo是指最高占据轨道，lumo是指最低空轨道。
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Either alpha-D-Glucopyranose, or beta-D What is the difference between alpha-glucose and beta-glucose? Find the energy of the HOMO - LUMO transition for the allyl radical in terms of beta. Consider the Fischer projection structure of D-fructose. Ho...
alpha-Aza-SBF and beta-aza-SBF possessed almost completely separated the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO), while gamma-aza-SBF and delta-aza-SBF showed overlapped HOMO and LUMO orbitals. The aza-SBFs showed excellent bipolar features and...
纯粹是偶然现象，本来alpha HOMO-LUMO gap就不是普遍比beta HOMO-LUMO gap高，只不过在你这个特定体系...
带单个正电荷分子，按三线态计算的，计算后有alpha和beta 2套轨道，绘制其homo和lumo轨道图时候，该...
the HOMO of the diazomethane and the LUMO of the alkenes serving as a predominant interaction.The corresponding pyrazolines are most often used as precursors to cyclopropanes by either thermal or photochemical exclusion of N_2.To our knowledge the Cycloaddition of gamma-alkoxy-alpha,beta-unsaturated...
Centers: 1 LANL2DZ *** 214 alpha electrons 214 beta electrons ---
(such as a diene and dienophile, in a Diels-Alder reaction), with the LUMO referring to the vacant orbital of lowest energy, in a first reactant (i.e., in an α,β-unsaturated aldehyde as described herein), and the HOMO referring to the orbital containing electrons of highest energy,...