Search        

Current filters:
Add filters:

Use filters to refine the search results.

  • previous
  • 1
  • next
Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Mar-2018C-5x5-2P_(C)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexSingle pointPBE--982.80572888; eV
thumbnail.jpeg16-May-2018HH_b1_tsFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointPBE--2001.40123003; eV
thumbnail.jpeg16-May-2018MECH_TS3Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointPBE--2073.27662433; eV
thumbnail.jpeg16-May-2018MECH_TS4Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointPBE--2075.02729776; eV
thumbnail.jpeg16-May-2018HH_a6_tsFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointPBE--1988.82803069; eV
thumbnail.jpeg27-Jun-2018pristine-HSEOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexSingle pointPBE--5210.28645131; eV
thumbnail.jpeg26-Jun-2020c5Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Single pointPBEUltrasoft-193695.720482; eV
Results 1-7 of 7 (Search time: 0.001 seconds).