The heat of formation for LLM-105 and its analogues was calculated accurately by using density functional theory(DFT) and means of designed isodesmic reaction at B3LYP/6-311G* level.
利用密度泛函理论(DFT)方法结合等键反应设计,在B3LYP/6-311G*水平上对LLM-105及其类似物的生成热进行了计算,并结合分子的电子结构讨论了目标物的相对稳定性。
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 。
The isodesmic reaction and nature bond orbital analyses for cycloocta -1,5- diene -3,7- diyne molecule have been obtained at the MP2/6 - 31G * level .
采用量子化学从头算方法研究了1,5-环辛二烯-3,7-二炔(C_8H_4)的结构和光谱性质,根据等键反应分析和自然键轨道方法研究了它的稳定性、成键情况和共轭性。
reverse bonded-phase chromatography
反键合相色谱(法)
Study of Nucleophilic Substitution Reaction of C-F Bond on a Benzene Ring under Activation of Hydrogen Bond
氢键活化的苯环上C-F键的亲核取代反应研究
You must reverse engineer primary keys in order to reverse engineer foreign keys.
要对外键实施反向工程，必须先对主键实施反向工程。
Reversing the polarity of a key, such that material formerly keyed out will be keyed in, and vice versa.
反转一个键的性质，这样一来素材中先前是键出的将变为键入，反之亦然。
Objective To discuss the key synthesis reaction of Pyritinol Hydrochloride.
目的讨论合成盐酸吡硫醇的关键反应。
Whatever key I press, it just has no effect at all.
我不论按什么键，它都毫无反应。
" This is the key gene for overcoming the early stage of rejection."
这是个解决早期排异反应的关键基因。
She is a key strategist in the campaign against terrorism.
她是反恐行动的一位关键的战略者。
Key words: right( left) visual field, character, graph, reaction time( RT).
关键词:左右视野，文字，图形，反应时。
The reduction cleaves the weak N-O bond.
这种还原反应致使弱的N-O键开裂。
Design of Simulation System of Anti-radiation Unmanned Aerial Vehicle
反辐射无人机仿真系统关键技术研究
"This is the key gene for overcoming the early stage of rejection."
"这是个解决早期排异反应的关键基因。"
Study on Key Technologies of Reverse Engineering for Complex Object;
复杂形状实体反求工程关键技术研究
Study on Key Technology of Green Reverse Osmosis Scale Inhibitor;
反渗透阻垢剂绿色化关键性技术研究
Research of GIS Key Techniques for Fire Alarm Control Fast Reaction System;
火警快速反应系统中GIS关键技术研究
Studies on the Reaction of the Rearrangement of Non-Conjugation Alkene by Microwave;
微波辐射下非共轭双键重排反应研究
Reflection:The Core and Trend of the Development of Teacher Professionalism;
反思:教师专业化发展的关键及趋势
Elementary Excitations of Bond-Altemating Antiferromagnetic Heisenberg Chain;
交替键反铁磁Heisenberg链的元激发谱