1.
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
2.
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
3.
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
4.
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
5.
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
6.
Quantum chemical investigation of C_(24) clusters isomers
C_(24)团簇异构体的量子化学计算
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.
Most of the calculations performed in computational chemistry rely on quantum mechanics.
依靠量子力学，多数计算以计算化学来完成。
15.
Ab initio Calculation on Propadiene Molecule;
丙二烯分子结构的量子化学从头计算
16.
The electronic computer has brought about thorough changes in carrying out mathematical computations.
电子计算机导致数学计算的根本性变化 。
17.
Calculation of the Photochemical Technique of Laser Isotope Separation in Monatomic Vapors
原子激发光化学同位素分离理论计算
18.
Quantum Chemical Calculation and Antioxidant QSAR Modeling of Polyphenols
多酚量子化学精度计算及抗氧化构效模型建立