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.jpeg9-Aug-2020DFT-UFF-polymer+surfaceFondevila, Adiran J. De AguirreGaussian; 16; AM64L-G16RevA.03Single point StructureONIOM; B97D; UFF6-31+G* DUMMY MIXED-3316.32683022; Eh
thumbnail.jpeg9-Aug-2020DFT-UFF-surfaceFondevila, Adiran J. De AguirreGaussian; 16; AM64L-G16RevA.03Single point StructureONIOM; B97D; UFF6-31+G* DUMMY MIXED-1608.68970079; Eh
thumbnail.jpeg9-Aug-2020DFT-UFF-polymerFondevila, Adiran J. De AguirreGaussian; 16; AM64L-G16RevA.03Single point StructureONIOM; B97D; UFF6-31+G* DUMMY MIXED-1707.71306802; Eh
Results 1-3 of 3 (Search time: 0.001 seconds).

Discover

Program name
Calculation type