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.jpeg5-Apr-2016/Chapter_4/TD-DFT Fe(acpa)2_LS_B3LYP_STARSaureu, SergiOrca; 3.0.1; RELEASESingle pointTDDFTdef2-TZVP; def2-TZVP/J-
thumbnail.jpeg5-Apr-2016/Chapter_4/TD-DFT Fe(pap)2_HS_B3LYP_STARSaureu, SergiOrca; 3.0.1; RELEASESingle pointTDDFTdef2-TZVP; def2-TZVP/J-
thumbnail.jpeg5-Apr-2016/Chapter_5/TD-DFT (SCH3)Fe(IV)O(Porph)_LS_B3LYP_starSaureu, SergiOrca; 3.0.1; RELEASESingle pointTDDFTdef2-TZVP; def2-TZVP/J-
thumbnail.jpeg5-Apr-2016/Chapter_4/TD-DFT Fe(sal2trien)_LS_B3LYP_STARSaureu, SergiOrca; 3.0.1; RELEASESingle pointTDDFTdef2-TZVP; def2-TZVP/J-
thumbnail.jpeg5-Apr-2016/Chapter_4/TD-DFT Fe(qsal)2_HS_B3LYP_STARSaureu, SergiOrca; 3.0.1; RELEASESingle pointTDDFTdef2-TZVP; def2-TZVP/J-
thumbnail.jpeg5-Apr-2016/Chapter_4/TD-DFT Fe(acpa)2_HS_B3LYP_STARSaureu, SergiOrca; 3.0.1; RELEASESingle pointTDDFTdef2-TZVP; def2-TZVP/J-
thumbnail.jpeg5-Apr-2016/Chapter_5/TD-DFT (SCH3)Fe(IV)O(Porph)_LS_TPSShSaureu, SergiOrca; 3.0.1; RELEASESingle pointTDDFTdef2-TZVP; def2-TZVP/J-
thumbnail.jpeg5-Apr-2016/Chapter_4/TD-DFT Fe(qsal)2_LS_B3LYP_STARSaureu, SergiOrca; 3.0.1; RELEASESingle pointTDDFTdef2-TZVP; def2-TZVP/J-
thumbnail.jpeg5-Apr-2016/Chapter_3/TD-DFT Fe(phen)3_LS_PBE0Saureu, SergiOrca; 3.0.1; RELEASESingle pointTDDFTdef2-TZVP; def2-TZVP/J-
thumbnail.jpeg5-Apr-2016/Chapter_4/TD-DFT Fe(sal2trien)_HS_B3LYP_STARSaureu, SergiOrca; 3.0.1; RELEASESingle pointTDDFTdef2-TZVP; def2-TZVP/J-
Results 1-10 of 13 (Search time: 0.0 seconds).

Discover

Author
Program name
Method