Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals—Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions-Reference-Cited by-同舟云学术

Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals—Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions

Published:2010-12-23 Issue:2 Volume:7 Page:291-309
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Goerigk Lars¹,Grimme Stefan¹

Affiliation:

1. Theoretische Organische Chemie, Organisch—Chemisches Institut der Universität Münster, Corrensstraβe 40, and NRW Graduate School of Chemistry, Wilhelm-Klemm-Straβe 10, D-48149 Münster, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct100466k

Reference134 articles.

1. Inhomogeneous Electron Gas

2. Self-Consistent Equations Including Exchange and Correlation Effects

3. A Chemist's Guide to Density Functional Theory

Cited by 1080 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Comparative analysis of solution properties and microscopic interactions in [emim][OTf]-[eOHpy][OTf] Mixture and [emim][OTf]-PEA solution;Journal of Molecular Structure;2025-01

2. Theoretical investigation of sustainable CO2 electroreduction to high-value products utilizing N-doped/BN-modified Triphenylene-Graphdiyne catalysts;Fuel;2025-01

3. High-performance color and fluorescence switching of cotton fabrics via light-induced proton transfer strategy of spiropyran sulfonate molecule;Industrial Crops and Products;2024-11

4. Mediating peroxymonosulfate activation path in Fenton-like reaction via doping different metal atoms into g-C3N5;Journal of Colloid and Interface Science;2024-11

5. Novel furan-containing linear polymer with strong built-in electric field for H2O2 photosynthesis;Chemical Engineering Journal;2024-10