查询词典 solvation

The purpose of our work is to develop a solvation model suitable for quantum mechanical simulations of large bio-molecules in solution.

该方法对溶剂和溶质的静电相互作用的处理利用了Still等人于1997年提出的广义玻恩模型。

The results are interpreted from reaction mechanism and preferential solvation in solutions.

本文从反应机理和溶液中的优先溶剂化作用的角度对这种现象进行了解释和说明。

When solvation or hydration affects bioavailability, appropriate manufacturing and control procedures should be established.

在溶剂化或水合作用影响生物利用度时，应建立合适的制造和控制方法。

At first the background of the classical solvation theory has been introduced, and some problems in the presentsolvation theory have been pointed out.

在连续介质模型的基础上，从基本的电动力学公式出发，通过严格的证明，得出与经典溶剂化理论完全不同的结论，即极化电场的自能总是为零。

This solvation model is based on atom-weighted solvent accessible surface area .

采用该模型，可以根据原子类型和原子表面，快速而准确地预测分子的水合自由能。

The solvation structure and dynamical properties were analyzed in detail by comparing with aqueous systems.

同时，还详细研究了离子溶剂化圈内溶剂分子的取向分布和停留时间。

But for Nen-NiO and Hen-N2O, the first six Ne or He atoms form the first solvation ring.

构型的确定为进一步振动光谱的研究提供了理论依据。

The experimental results showed that support vector regression algorithm would be a useful tool for rapid and accurate calculation of molecular solvation free energies in aqueous solution.

研究结果表明，支持向量回归算法可用于有机小分子化合物在水溶液中的溶解自由能的快速、准确计算。

Put a ten-dollar bill in the pocket of a coat you donate to the Solvation Army.

放十元钱在你捐给救世军大衣的口袋里。

Theoretical treatments of impulsive femtosecond pump-probe spectroscopy, solvation dynamics and electron transfer are presented.

治疗的理论飞秒脉冲泵探测光谱，溶剂化动力学和电子转移的介绍。

Neither the killing of Mr Zarqawi nor any breakthrough on the political front will stop the insurgency and the fratricidal murders in their tracks.

在对危险的南部地区访问时，他斥责什叶派民兵领导人对中央集权的挑衅行为。

In fact,I've got him on the satellite mobile right now.

实际上 我们已接通卫星可视电话了