1.
Quantum Chemistry Calculation on Cermet of Fe_xAl_y System;
Fe_xAl_y系列金属陶瓷的量子化学计算
2.
Quantum Chemistry Calculation on Thermoelectric Properties of Ca-Co-O System;
Ca-Co-O体系热电材料的量子化学计算
3.
Quantum Chemistry Calculation on Battery Material of LiFePO_4 System;
LiFePO_4系列电池材料的量子化学计算
4.
Quantum Chemistry Calculation Research of the Aromaticity on Alumazene;
环铝氮烷芳香性的量子化学计算研究
5.
Quantum chemical investigation of C_(24) clusters isomers
C_(24)团簇异构体的量子化学计算
6.
Quantum Chemical Computation of Intermolecular Interactions of Coal Supramolecular Molecules;
煤超分子分子间相互作用的量子化学计算
7.
A Review on the Quantum Chemistry Calculation about the Nonlinear Hyperpolarizabilities of Organic Compounds;
有机化合物非线性极化率的量子化学计算
8.
Quantum Chemical Calculation of the Acidity of Zeolites;
量子化学计算在分子筛酸性表征方面的应用
9.
Study on Synthesize, Character and Quantum Chemistry Simulation
嘧啶类化合物的合成、表征及量子化学计算
10.
New Generation Relativistic Quantum Chemical Methods and Application;
新一代相对论量子化学计算方法与应用
11.
Preparation, Properties and Quantum Chemistry Calculation of Cobaltite Thermoelectric Materials;
钴酸盐热电材料的制备、性能及量子化学计算
12.
Sandpile Experiments Based on Self-Organized Criticality for Describing Algal Bloom Behavior & Quantum Computation of Chemical Bond Energy of Chlorophyll in Alga;
水华暴发的SOC实验与藻体叶绿素量子化学计算
13.
Quantum Chemical Calculation and Spectral Study of the Porphyrin and Its Aggregates
卟啉及其聚集体的量子化学计算和光谱研究
14.
Theoretical Study on the Reaction of Ni~+ with CS_2 in Gas Phase
气相中Ni~+与CS_2反应的量子化学计算研究
15.
New Chemometric Algorithms Based on Chaotic Concept and QSAR Aided Quantum Chemical Calculations;
基于混沌的化学计量学新算法研究及基于量子化学计算的构效关系研究
16.
Quantum Chemical Calculation, Synthesis, Characterization and Crystal Structure of Supramolecular Compounds;
超分子化合物的量子化学计算、合成、表征及晶体结构研究
17.
Quantum Chemical Study on Two-State Reactivity of Small Molecules Activated by Transition Metal
过渡金属活化小分子两态反应的量子化学计算研究
18.
Ab initio Calculation on Propadiene Molecule;
丙二烯分子结构的量子化学从头计算