COMPASS II(Sun et al.,2016)是对COMPASS力场的重大扩展。COMPASS II将现有的COMPASS扩展到包括研究离子液体感兴趣的更多药物和化合物。 COMPASS II是与上海交通大学孙淮教授合作开发的。使用孙教授开发的工具,现有的COMPASS力场与现有的量子力学计算(在B3LYP / 6-31G(d,p)水平上执行)相结合,以获得新参数并解决现...
COMPASS II: extended coverage for polymer and drug-like molecule databasesForce fieldHeterocyclic compoundsPolymersSimulationJournal of Molecular Modeling - The COMPASS II force field has been developed by extending the coverage of the COMPASS force field (J Phys Chem B 102(38):7338–7364, 1998) ...
KeywordsCOMPASS,Molecularforcefield 摘要COMPASS力场是最近发展的适合凝合态应用的一个全新的分子力场。它是第 一个基于从头计算、能够精确预报孤立态和凝合态分子的分子结构、构象、振动、 热力学性质的分子力场。COMPASS力场也是第一个把以往分别处理的有机分子体 系的力场与无机分子体系的力场统一的分子力场,能够模拟...
Encyclopedia Wikipedia Related to gyrocompass:gyroscope,magnetic compass gy·ro·com·pass (jī′rō-kŭm′pəs, -kŏm′-) n. A compass with a motorized gyroscope whose angular momentum interacts with the force produced by the earth's rotation to maintain a north-south orientation of the ...
• Use Wi-Fi Protected Access II (WPA2-Personal) or (WPA2-Enterprise) encryption. Wired Equivalent Privacy (WEP) is not sufficiently secure. • Use the correct class of network equipment. For example, do not use home or small office equipment for large enterprise jobs. • Change the ...
6a) to ensure that the visual field in front of the mouse is not obstructed. We performed the following variants of the protocol: (i) with the LED stripes (placed inside the visual enclosure) on (Experiment 3-L), (ii) off (Experiment 3-D), and (iii) LED on, after the rotator ...
perhaps none are as useful as the GPS and navigational capabilities. The major weakness here, though, is that this is a single point of failure. If there’s no cell service, if the battery dies, or you find yourself flying a bomber during World War II then you’re going to need anothe...
Philips Semiconductors Electronic Compass Design using KMZ51 and KMZ52 Application Note AN00022 Abstract The KMZ51 and KMZ52 from Philips Semiconductors are magnetic field sensors, dedicated to compass applications. Both sensors rely on the magnetoresistive effect and provide the required sensitivity and...
1) COMPASS force field COMPASS力场 1. The simulation of the Octaphenyl Silsesquioxane(OPS) in the polypropylene(PP) composites was carried out by use of the molecular dynamics simulation and the COMPASS force field. 利用分子动力学和COMPASS力场相结合的方法,求得八苯基倍半硅氧烷(OPS)粒子在聚丙烯...
In the arrangement illustrated by Figs. 1 and 2, we use two small horse shoe magnets 16 and II attached to the directive element, and a shield 3 18-19 of magnetic material, fixed relative to the case 1. The magnets 16 and 17 are pressed through holes in the disk 5, the poles being...