Benchmark study of popular density functionals for calculating binding energies of three-center two-electron bonds-Reference-Cited by-同舟云学术

Benchmark study of popular density functionals for calculating binding energies of three-center two-electron bonds

Published:2018-12-18 Issue:4 Volume:40 Page:657-670
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Cui Cheng-Xing¹²,Xu Dongdong³,Ding Bo-Wen⁴,Qu Ling-Bo¹⁵,Zhang Yu-Ping²,Lan Yu³⁵^ORCID

Affiliation:

1. Postdoctoral Station of Food Science and Engineering, College of Food Science and Engineering; Henan University of Technology; Zhengzhou 450001 People's Republic of China

2. Postdoctoral Research Base, School of Chemistry and Chemical Engineering; Henan Institute of Science and Technology; Xinxiang 453003 People's Republic of China

3. School of Chemistry and Chemical Engineering; Chongqing University; Chongqing 400030 People's Republic of China

4. State Key Laboratory of Water Environment Simulation; School of Environment, Beijing Normal University; Beijing 100875 People's Republic of China

5. College of Chemistry and Molecular Engineering; Zhengzhou University; Zhengzhou 450001 People's Republic of China

Funder

Chongqing University

China Postdoctoral Science Foundation

National Natural Science Foundation of China

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.25752/fullpdf

Reference144 articles.

1. Homogeneous Transition Metal Catalysis of Acceptorless Dehydrogenative Alcohol Oxidation: Applications in Hydrogen Storage and to Heterocycle Synthesis

2. Non-covalent interactions in the synthesis of coordination compounds: Recent advances

3. Catalytic Enantioselective Transformations Involving C–H Bond Cleavage by Transition-Metal Complexes

4. Beyond C2 and C3: Transition-Metal-Catalyzed C–H Functionalization of Indole

5. Cyclic (Alkyl)(amino)carbenes (CAACs): Recent Developments

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