1) CN-·H 2O
CN-H2O
2) CN~-Ni-Au-H_2O
CN-Ni-Au-H2O
1.
Theoretical Analysis of Thermodynamics of CN~--Ni-Au-H_2O System under High Temperature;
通过分析计算,证明在高温条件下工业含氰(CN--Ni-Au-H2O体系)废水能够被电解,常温下更适合工业化操作。
3) Cyanide
[英]['saɪə,naɪd] [美]['saɪə,naɪd]
CN
1.
Using density functional theory (DFT), the adsorption of cyanide (CN) on the different sites of Cu(100) surface was studied with end-on and side-on geometries.
采用密度泛函方法 ,以原子簇Cu14 为模拟表面 ,对CN自由基分子在垂直和平行Cu( 10 0 )表面不同位置的吸附情况进行了研究 ,结果表明 :通过原子C垂直吸附在表面的顶位是其最佳吸附方式 ,吸附后CN键振动频率发生蓝移 ;而其它吸附方式中CN键振动频率均发生红移 。
4) water
[英]['wɔ:tə] [美]['wɔtɚ, 'wɑtɚ]
H2O
1.
Density functional theory(DFT) B3LYP method is used to theoretically investigate the interaction of water with β-silicon nitride surface(0001).
采用密度泛函理论(DFT)的B3LYP方法对H2O在-βS i3N4(0001)面上的吸附进行研究,采用原子簇模拟β-S i3N4(0001)表面,在6-31G*水平上计算常温常压下H2O分子在-βS i3N4(0001)表面的吸附构型和吸附能及电荷变化,同时考察温度、压强及预吸附BH3对吸附体系的影响。
2.
Theoretical Study on the Reaction of Chlorine Trifluoride with Water by Density Functional Theory;
应用量子化学密度泛函理论(DFT),对ClF3和H2O在不同比例下的反应进行了研究。
5) H_2O
H2O
1.
To study the effect of contamination gases on the hydriding properties of palladium,Pd powder samples were exposed to contamination gases such as CO,O_2 as well as H_2O.
为了考察杂质气体对钯吸氢速率的影响,测定了钯粉末暴露在CO,O2,H2O中后25℃下的吸氢速率。
2.
H_2O as a non-solvent is added to PAN/DMSO solution at different wt%.
研究了以H2O为添加剂的PAN/DMSO纺丝溶液的性质。
3.
The optimized stable six-ring hydrogen bond complexes between H_2O and HX(X=F,Cl,Br) were found on the potential energy surface by means of B3LYP/6-311++g(d,p).
在B3LYP/6-311++g(d,p)水平上对H2O与HX(X=F,Cl,Br)分子间形成的(H2O)2HX六元环状氢键复合物的构型进行了全优化。
6) Cyanide (CN~-)
氰(CN~-)
补充资料:ammonium ferrocyanide [(nh4)4(fe(cn)6)]
CAS:14481-29-9
分子式:C6FeN6·4H4N
中文名称:亚铁氰化铵;(OC-6-11)-六氰合高铁酸(4-)铵
英文名称:Ammonium ferrocyanide
hexakis(cyano-C)-, tetraammonium, (OC-6-11)-Ferrate(4-)
ammonium ferrocyanide [(nh4)4(fe(cn)6)]
ammonium hexacyanoferrate (ii)
hexacyano-ferrate(4- tetraammonium
tetraammonium, (oc-6-11)-ferrate(4-hexakis(cyano-c)-
tetraammonium hexacyanoferrate
triammonium hexakis-(cyano-c)ferrate(4-)
分子式:C6FeN6·4H4N
中文名称:亚铁氰化铵;(OC-6-11)-六氰合高铁酸(4-)铵
英文名称:Ammonium ferrocyanide
hexakis(cyano-C)-, tetraammonium, (OC-6-11)-Ferrate(4-)
ammonium ferrocyanide [(nh4)4(fe(cn)6)]
ammonium hexacyanoferrate (ii)
hexacyano-ferrate(4- tetraammonium
tetraammonium, (oc-6-11)-ferrate(4-hexakis(cyano-c)-
tetraammonium hexacyanoferrate
triammonium hexakis-(cyano-c)ferrate(4-)
说明:补充资料仅用于学习参考,请勿用于其它任何用途。
参考词条