查询词典 isocyanic acid

Using the MP2 method at the 6-311G level, the geometries of the reactants, transition state and products of the hydrogen abstraction reaction of isocyanic acid with formyl radical have been optimized. Changes of bond lengths of interacting molecules and the stationary point structures were discussed along the minimum energy paths.

在 UMP2/6-311G计算水平上，优化了标题反应的反应物、过渡态、产物的几何结构，沿最小能量途径讨论了异氰酸和甲酰自由基发生氢转移反应位能面上驻点的结构以及相互作用分子结构变化。

Isocyanic acid ; Hydrogen abstraction reaction ; ab initio ; Formyl radical ; Rate constant

异氰酸；氢转移反应； abinitio ；甲酰基自由基；速率常数

The salts of fulminic acid differ basically isocyanic acid and its trimers.

雷酸盐基本上不同于异氰酸盐和异氰三聚物的盐。

The Density Function Theorymethod are employed to study the geometries of the cyanic acid and isocyanic acid on the base of B3LYP/6-31++Gin the paper.

主要采用密度泛函理论方法，在B3LYP/6-31++G水平上，优化了氰酸、异氰酸的结构，分别得到氰酸的能量为-168.69356 a.u，异氰酸的能量为-168.73227 a.u，并对过渡态进行了反应的内禀反应曲线IRC计算。

A DFT study of cyanic acid and isocyanic acid in the isomerization;2. The reaction path of isocyanic acid with carbon-hydrogen radicals CH, CH 2 and CH 3 have been investigated by using UMP2 method at 6-311g level.

在UMP2 / 6 311计算水平上，计算并讨论了碳氢自由基和异氰酸发生氢转移反应位能面上驻点的结构和分子结构变化，并依据UMP2的优化构型，进一步采用UQCISD方法对反应途径上的驻点进行了单点能量计算。

A salt or ester of isocyanic acid .

多磷酸形成的一种盐或酯。

A salt or ester of isocyanic acid .

异氰酸形成的一种盐或酯。

In this paper, quantum chemistry methods were used to investigate themicrocosmic reaction mechanisms and dynamics of a series of activatenitrogen-, sulfur- and halogen-containing radicals and some smallmolecules in the gas phase theoretically, including isocyanic acid,isothiocyanic acid and ketenyl radical.

本研究论文是采用量子化学理论和计算方法，对异氰酸 HNCO、异硫氰酸 HNCS 及其自由基、乙烯酮自由基 HCCO 与若干气相含氮、硫、卤素的活性小分子自由基反应的微观反应动力学进行理论计算研究。

In this paper, quantum chemistry methods were used to investigate the microcosmic reaction mechanisms and dynamics of a series of activate nitrogen-, sulfur-and halogen-containing radicals and some small molecules in the gas phase theoretically, including isocyanic acid , isothiocyanic acid and ketenyl radical .

本研究论文是采用量子化学理论和计算方法，对异氰酸HNCO、异硫氰酸HNCS及其自由基、乙烯酮自由基HCCO与若干气相含氮、硫、卤素的活性小分子自由基反应的微观反应动力学进行理论计算研究。

The method includes steps:(1) dropping triethoxy - 3 - propyl silicane isocyanic acid to ethanol solution of pH sensitive reagent to obtain reaction fluid A;(2) mixing siloxane, acid, and water to obtain reaction fluid B;(3) mixing reaction fluid A, reaction fluid B and solution of calcium chloride according to proportion to obtain solution C;(4) coating solution C on micropore base of micropore plate, using sealing tape to seal micropores, and using needle to perforate each micropore at center, and protecting from light; after placing it a period of time, the method adds distilled water to micropores, keeping the back up.

本发明公开了一种微孔板pH传感器的原位制备方法，其步骤是首先将三乙氧基-3-异氰酸丙基硅烷滴入pH敏感试剂的乙醇溶液中，得反应液A；其次是将硅氧烷、酸和水混合，得反应液B；第三是取反应液A、反应液B及氯化钙溶液，按比例混合，得溶液C；第四是取溶液C涂于微孔板的微孔底部，用密封带将微孔封住，并用针在每个微孔中央刺孔，避光保存。

The split between the two groups can hardly be papered over.

这两个团体间的分歧难以掩饰。

This approach not only encourages a greater number of responses, but minimizes the likelihood of stale groupthink.

这种做法不仅鼓励了更多的反应，而且减少跟风的可能性。