Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Jun-2018H2O-MoO3-xRellán, Marcos; Rellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--1212.91939578; eV
thumbnail.jpeg22-Jun-2018/molecules acroleinRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--47.32267214; eV
thumbnail.jpeg22-Jun-2018/molecules glycerolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--76.69116119; eV
thumbnail.jpeg22-Jun-2018/molecules acetaldehydeRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--39.15772773; eV
thumbnail.jpeg22-Jun-2018/molecules ethylene_glycolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--53.41637328; eV
thumbnail.jpeg22-Jun-2018/molecules 13_PropanediolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationPBE--70.05774833; eV
thumbnail.jpeg22-Jun-2018/molecules 13_Enol_ERellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--61.93315424; eV
thumbnail.jpeg22-Jun-2018/molecules propanoneRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--56.07257425; eV
thumbnail.jpeg22-Jun-2018/molecules ethanolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--46.96693650; eV
thumbnail.jpeg22-Jun-2018/molecules propylene_glycolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--70.18202156; eV
Results 1-10 of 26 (Search time: 0.002 seconds).