1. Barcelona Supercomputing Center

Search        

Start a new search
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required22-May-2025/16 16_TMA_add1Funes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUwB97XDDEF2SVP DEF2TZVPP-715.7925046; Eh
Login required22-May-2025/16 16_tBuI_TSFunes, IgnacioGaussian; 16; ES64L-G16RevC.02Geometry optimization TSUwB97XDDEF2SVP DEF2TZVPP-996.935445; Eh
thumbnail.jpeg18-Mar-2025tolpyralate_CONF1042_octanolPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-2001.98630352; Eh
thumbnail.jpeg18-Mar-2025tolpyralate_CONF1019_octanolPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-2001.98678438; Eh
thumbnail.jpeg18-Mar-2025tolpyralate_CONF1029_octanolPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-2001.98815782; Eh
thumbnail.jpeg18-Mar-2025tolpyralate_CONF1057_octanolPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-2001.98865730; Eh
thumbnail.jpeg27-Mar-2025bensulfuron_CONF513_octanolPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-1764.53581740; Eh
thumbnail.jpeg27-Mar-2025bensulfuron_CONF514_octanolPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-1764.53563148; Eh
thumbnail.jpeg27-Mar-2025bensulfuron_CONF515_octanolPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-1764.53580056; Eh
thumbnail.jpeg27-Mar-2025bensulfuron_CONF516_octanolPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVPP; def2/J; cpcm-1764.53619623; Eh
Results 386711-386720 of 397199 (Search time: 0.233 seconds).

Discover