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.jpeg19-May-2020TS5Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRwB97XD6-311G(D,P)-1776.01597695; Eh
thumbnail.jpeg19-May-20206MCC-Int2_(and_TBD-H(+))Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1776.01727014; Eh
thumbnail.jpeg19-May-2020TS6Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRwB97XD6-311G(D,P)-1775.99993241; Eh
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_Center_of_Cluster_9_(R)Villar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_Center_of_Cluster_0_(S)Villar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_Center_of_Cluster_1_(S)Villar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_(S)-2,3-allenolVillar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_Center_of_Cluster_3_(S)Villar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_Center_of_Cluster_2_(S)Villar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_Center_of_Cluster_4_(S)Villar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
Results 1-10 of 87 (Search time: 0.001 seconds).