And with PCM model, the results of calculation are essentially consistent with experimental values at the B3LYP/ 6-311G level. 在溶剂化效应PCM模型下,在B3LYP/6-311G基组水平上计算其荧光光谱,所得结果与实验值比较吻合。
A Method for Realizing PCM Digital Conference Module with the Level Priority Coding Technique 量值优先编码技术实现PCM数字会议模块的方法
PCM transmitter is the key part of reentry telemetry system and its level influences the development of the entire system. PCM发射机是再入遥测设备的核心部件,它的发展水平直接影响再入遥测系统的发展。
The mechanism of the tautomerization of nitromethane to formaldoxime in aqueous solution has been investigated at the level of B3LYP/ 6-311++ G using the supramolecular/ continuum model. 采用超分子-连续介质(PCM)模型,在密度泛函B3LYP/6-311++G水平上对水溶液中亚硝基甲烷异构化反应的机理进行了理论研究。
The effect of solvent on the absorption and emission spectra of the dyes was taken into account using the polarizable continuum model PCM. The result showed that PBE1PBE/ 6-31G ( PCM) level gave more reliable description of the absorption characters. 采用极化连续模型PCM考虑了溶剂效应对吸收光谱的影响,结果表明:PBE1PBE/6-31G(PCM)方法更能准确预测染料的吸收光谱性质。