-
在结果中检索

检索结果分析

结果分析中...
检索条件："关键词=密度函数计算 "
共 条 记 录，以下是1-3

发文量、被引量趋势图

全选清除导出
参考文献引证文献引用追踪
视图：
排序：
显示条数：
Electronic structures and optical properties of two anthracene derivatives被引量：1
《Chinese Science Bulletin》2006年第20期2444-2450,共7页ZHANG Peng XIA Baohui SUN Yinghui YANG Bing TIAN Wenjing WANG Yue ZHANG Guo 
the Major State Basic Research Development Program （Grant No. 2002CB613401）; the National Natural Science Foundation of China （Grant No. 20474023）;the Basic Research Project of Jilin Province （Grant No. 20050504） ; Program for Changjiang Scholars and Innovative Research Team in University （Grant No. IRT0422）.
The electronic structures and the optical properties of two anthracene derivatives, DBMA and DAA, are investigated by both experimental tech- niques and quantum chemical calculations. The cy- clic voltammetry and diff...
关键词：蒽衍生物 超分子结构 电化学 电子结构 紫外可见吸收 发光性能 密度函数计算 
利用概率性质解数学分析问题被引量：1
《陕西教育学院学报》1995年第1期75-79,90,共6页司存瑞 
概率论是以数学分析和高等代数为基础,我们利用它们的理论给出了概率论中的若干性质和定理。反过来,我们亦可以构造适当的概率模型,利用概率函数的基本性质去解决一些数学分析中不易解决的问题。本文笔者仅谈两个问题:一、利用概率函数...
关键词：离散型随机变量 数学分析 概率模型 概率论 正态分布 幂级数 密度函数计算 无穷积分 概率函数 高等代数 
Using density functional calculations to elucidate atomic ordering of Pd-Rh nanoparticles at sizes relevant for catalytic applications
《Chinese Journal of Catalysis》2019年第11期1749-1757,共9页Lorena Vega Hristiyan A.Aleksandrov Konstantin M.Neyman 
financed by the Generalitat de Catalunya via a pre-doctoral grant 2018FI-B-00384;the Operational program“Science and Education for Smart Growth”,project BG05M2OP001-2.009-0028 for funding his research stay in the University of Barcelona;financial support by the Bulgarian Ministry of Education and Science under the National Research Programme“Low-carbon Energy for the Transport;support by the Spanish grants PGC2018-093863-B-C22,CTQ2015-64618-R;MDM-2017-0767 as well as by the grant 2017SGR13 of the Generalitat de Catalunya
Pd-Rh nanoparticles are known to easily undergo surface restructuring in reactive environment. This study quantifies, with the help of density functional(DFT) calculations and a novel topological approach, atomic orde...
关键词：Density functional calculations Atomic ordering Pd Rh nanoparticles Size relevant 
全选清除导出
共1页<1>
检索报告 对象比较 聚类工具 使用帮助 返回顶部