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名称:中国化学会
省份:北京市

快三开奖结果:第十三届全国量子化学会议论文集——第一分会:电子结构理论与计算方法

会议论文
一种求解大矩阵本征值问题的向量相互作用迭代方法 黄超;肖云龙;刘文剑;
Simulation of realistic spectra from first principles Malgorzata Biczysko;
Understanding Polymorphism-Dependent Emission Properties of Molecular Crystals with a Refined QM/MM Approach Yunzhi Li;Guoqiang Wang;Wei Li;Yue Wang;Shuhua Li;
通过金属化σ电子寻找高Tc的超导材料 顾雨豪;蒋鸿;胡江平;
The Proton-Coupled Electron Transfer Reaction of Lumiflavin with Oxygen: Revealing the Oxygenation Mechanism in Bacterial Bioluminescence Yanling Luo;Ya-Jun Liu;
New Insights into the Activation of Lingulodinium Polyedrum Luciferase Revealed by Molecular Dynamics Simulation Ming-Yu Wang;Ya-Jun Liu;
Persistent Room Temperature Phosphorescence from Pure Organic Luminogens Induced by the Dopant Chloroform: Insight from Theoretical Calculations Huili Ma;Hongde Yu;Jiajun Ren;Wenqiang Li;Qian Peng;Dong Wang;Zhigang Shuai;
Indirect-to-Direct Band Gap Crossover in Few-Layer Transition Metal Dichalcogenides Yajing Sun;Dong Wang;Zhigang Shuai;
Theoretical Studies on Uranium-Iron Triple-Bonded UFe(CO)_3~- and OUFe(CO)_3~- Complexes 王佳琦;周鸣飞;李隽;
金属掺杂硼墨烯团簇CoB_(18)~-的理论研究 李婉璐;陈欣;李隽;
On the Highest Oxidation State of Iron: A DMRG Study 鲁俊波;黄薇;李隽;
Manipulating Stabilities and Catalytic Properties of M3 Clusters through Tuning the Chemical Bonding 许聪俏;李隽;
Electronic Polarization in an Organic π-π Stacking Crystal Xiaoyi Ma;Yuanping Yi;
Optoelectronic Properties of Anti-aromatic and Aromatic Materials for Organic Photovoltaics Yan Zeng;Qingxu Li;Yuanping Yi;
从头算双电子积分计算的异构优化研究 田英齐;索兵兵;马英晋;金钟;
激发态多态密度泛函理论及其在势能面构建和圆锥交叉方面的应用 包鹏;
Pentavalent Lanthanide Nitride-Oxides: NPrO and NPrO~— Shu-Xian Hu;Mingfei Zhou;Jun Li;
First-Principles study on Pt-Rh bimetallic catalyst for Ethanol Decomposition Xin-Yu Wang;Xiao-Dong Wen;Ya-Wen Zhang;
Theoretical Studies on Photocycloaddition Reactions of Oxazolines: Mechanism and Enantioselective Selectivities Chun-Xiang Li;Wei-Hai Fang;Ganglong Cui;
多晶硅材料晶界载流子动力学研究 王斯宇;
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