Theoretical studies on heat of formation and stability for energetic materials of LLM-105 and its analogues;
含能材料LLM-105及其类似物生成热和稳定性研究
In addition,the heat of formation was calculated by ab initio,semi-empirical,and densi.
同时研究了热解机理,探索性的预测了断裂O—NO2键及C—O键后的产物,并采用从头算法、半经验方法和密度泛函理论分别计算了硝酸丙酯的生成热,由半经验方法中的PM3得到的数值和实验结果符合较好。
The heat of formation (HOF) for a series of polynitroadamantanes was calculated systematically by using density functional theory (DFT) at B3LYP/6-31G * level by means of designed isodesmic reactions without breaking the adamantane skeleton ( i.
在密度泛函理论 (DFT)B3LYP/ 6 3 1G 水平下 ,通过不破裂金刚烷分子骨架 (即选择金刚烷作为参考物 )的等键反应设计 ,比较精确地计算了系列多硝基金刚烷的生成热 。
In this paper we build up a method for calculating the bond dissociation energies of alkylsiliane derivatives and for calculating the heats of formation of alkylsiliane radicals from their group electronegativity.
基于基团电负性用硅烷基的结构参数建立了硅烷基衍生物H3-xRxSi—X键的键离解能以及硅烷基自由基生成热的经验计算方法,利用此方法计算出了一系列H3-xRxSi—X键的键离解能,与已知的28个文献数据比较,平均偏差为4。
The heats of formation were obtained.
用半经验分子轨道(MO)PM3、AM1、MNDO和MINDO/3方法对66种高能化合物进行几何全优化SCF计算,探讨了诸方法计算生成热(ΔHf)与实验值的关系。
The Delft molecular mechanics(DMM) force field and program and the semi empirical molecular orbital AM1 and PM3 methods have been employed to study the geometries, electronical structures and heats of formation of ten conjugated hydrocarbons.
运用Ｄｅｌｆｔ分子力学（ＤＭＭ）力场和程序以及半经验分子轨道ＡＭ１和ＰＭ３方法计算研究了丁二烯、苯、甲苯、联苯、苯乙烯、富烯、、环辛四烯、［２，２］对环烷和菲等１０个共轭烯烃分子的几何构型、电子结构和生成热。
The effect of the load,inflation pressure and speed on the heat build up of tire was investigated,and the heat build up at the groove bottom,shoulder and toe of 195/60HR14 tire under the different conditions was calculated.
分析了轮胎载荷、内压以及速度对轮胎热生成率的影响 ,计算了 195 / 6 0HR14轮胎花纹沟底部、胎肩和胎趾 3个热点在不同条件下的热生成率。
The simplified conditions under which the heat build up of all tire materials was determined were investigated.
探讨了确定轮胎全部材料热生成率的简化条件。
From the relation of lnΧCMC-1/T, the average standard mole heat of micelle formation was gained:△Hθm=-13.
由lnΧCMC-1/T关系求得平均标准摩尔胶束生成热△Hθm=-13。
Relationship Between the Heat of Combustion, Heat of Formation of Normal Aliphatic Acid and Its Molecular Structure
正脂肪酸的燃烧热和生成热与分子结构的关系
TOPOLOGICAL RESEARCH IN THE ION STANDARD HEAT OF FORMATION
离子标准生成热Δ_fH~θ_m的拓扑研究
Estimation the Heat of Formation of Span-80 by Experience Additive Methods
用经验加和法估算Span-80的生成热
Numerical Modelling of NOx Formation in Regenerative Heater
蓄热式加热炉内NOx生成的数值模拟
tropical epiphytic ferns with straplike fronds.
热带附生蕨类，叶片成线形。
Nothing great was ever achieved without enthusiasm --Emerson
缺乏热情是完成不了伟业的 --爱默生
Technical Research on Microwave-induced Thermoacoustic Computed Tomography;
生物组织微波热声断层成像技术研究
Investigation on Heat Transfer and Calcium Carbonate Scale Formation during Nucleate Pool Boiling;
池核沸腾传热与CaCO_3垢生成的研究
Study on Titanium Dioxied Thin Film Prepared by Thermal Oxidation with or without Nitrogen;
热氧化生成TiO_2及氮掺杂TiO_2薄膜的研究
Robotic Trajectories Auto Generation and Optimization in Thermal Spraying;
热喷涂机器人路径的自动生成及优化
Synthesis and Optimization of the Heat Exchanger Network of Xylose Process;
木糖生产过程换热网络的合成及优化
Study on the Shape Evolution and Heat Transfer of the Rodbillet during Spray Forming Process;
喷射成形柱状坯生长及传热过程研究
Heat Treatment Conversion of In-situ TiCp/Fe Composite;
原位生成TiCp/Fe复合材料的热处理转变
Invigorate the Students Enthusiasm for Graduate Exam and Improve their Behavior in Mathematics Exam;
激发学生考研热情 提高数学考研成绩
The Crystal Growth Habits and Nucleation Mechanism of Hydrothermal Crystallization of Nano-AlOOH
纳米AIOOH晶体水热生长习性及成核机理
Thermodynamic Study of Aluminium Sub-oxide Formation and Decomposition in Vacuum Condition
真空下Al_2O生成及其歧化分解的热力学
TEA Assisted Hydrothermal Synthesis of ZnO Microcrystals and Their Growth Mechanism
TEA辅助ZnO微晶的水热合成及生长机理
Preparation of refrigerating water for PVC production by synthesis heat
利用合成热制取PVC生产所需冷冻水