benchmarks
Differences
This shows you the differences between two versions of the page.
|
benchmarks [2017/06/12 16:16] nuno [Introduction] |
benchmarks [2017/06/12 16:16] (current) nuno [Introduction] |
||
|---|---|---|---|
| Line 17: | Line 17: | ||
| In our group a review was attained, presenting a brief outline of the density functional theory and of the historic development of the field focusing later on several types of density functionals, and finishing with a detailed analysis of the performance of DFT across a wide range of chemical properties and system types, up to 2006. In addition, benchmark efforts in transition metal chemistry have been described, together with reaction pathways, and proton transfer of aminoacid side-chains in solution. | In our group a review was attained, presenting a brief outline of the density functional theory and of the historic development of the field focusing later on several types of density functionals, and finishing with a detailed analysis of the performance of DFT across a wide range of chemical properties and system types, up to 2006. In addition, benchmark efforts in transition metal chemistry have been described, together with reaction pathways, and proton transfer of aminoacid side-chains in solution. | ||
| ### | ### | ||
| - | [[molUP|molUP]] | ||
| \\ | \\ | ||
| ===== Review ===== | ===== Review ===== | ||
benchmarks.txt ยท Last modified: 2017/06/12 16:16 by nuno
Page Tools
Except where otherwise noted, content on this wiki is licensed under the following license: CC Attribution-Share Alike 3.0 Unported
