Quantum-Chemical Characterization of the Properties and Reactivities of Metal-Organic Frameworks

被引：242
|
作者：
Odoh, Samuel O. [1 ]
Cramer, Christopher J.
Truhlar, Donald G.
Gagliardi, Laura
机构：
[1] Univ Minnesota, Dept Chem, Chem Theory Ctr, Minneapolis, MN 55455 USA
来源：
CHEMICAL REVIEWS | 2015年 / 115卷 / 12期
关键词：
DENSITY-FUNCTIONAL-THEORY; GENERALIZED-GRADIENT-APPROXIMATION; ZEOLITIC IMIDAZOLATE FRAMEWORKS; MOLECULAR-DYNAMICS SIMULATIONS; PROJECTOR AUGMENTED-WAVE; HETEROGENEOUS CATALYTIC-OXIDATION; ELECTRONIC-STRUCTURE CALCULATIONS; EXCHANGE-CORRELATION POTENTIALS; SECONDARY BUILDING UNITS; GAS-CHROMATOGRAPHIC SEPARATION;
D O I：
10.1021/cr500551h
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
[No abstract available]
引用
收藏
页码：6051 / 6111
页数：61
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