location: Current position: Home >> Scientific Research >> Paper Publications

Spin-state energies of heme-related models from spin-flip TDDFT calculations

Hits:

Affiliation of Author(s):光学高等研究中心

Journal:Phys. Chem. Chem. Phys.

All the Authors:gaojun,liuchengbu,Changfeng Fang

First Author:赵会

Indexed by:Unit Twenty Basic Research

Document Code:lw-199396

Volume:18

Issue:42

Page Number:29486

Translation or Not:no

Date of Publication:2016-09-30

Pre One:Theoretical Insight into the Conversion Mechanism of Glucose to Fructose Catalyzed by CrCl2 in Imidazolium Chlorine Ionic Liquids

Next One:DFT Study on the Formation Mechanism of Normal and Abnormal N-Heterocyclic Carbene-Carbon Dioxide Adducts from the Reaction of an Imidazolium-Based Ionic Liquid with CO