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-Sep-2016/Nb6 DFT_stabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--1772.25485423; Eh
thumbnail.jpeg19-Sep-2016/Cs1_Ta6 DFT_stabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--1792.83068817; Eh
thumbnail.jpeg31-Jan-2017_2_TD-DFTSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE; TD-FC--1568.94461256; Eh
thumbnail.jpeg31-Jan-2017_2constrained_TD-DFTSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE; TD-FC--1568.90247784; Eh
thumbnail.jpeg31-Jan-2017_1constrained_TD-DFTSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE; TD-FC--1568.89840410; Eh
thumbnail.jpeg31-Jan-2017_1_TD-DFTSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE; TD-FC--1568.94098020; Eh
thumbnail.jpeg31-Jan-2017_1_StabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--1568.60524371; Eh
thumbnail.jpeg31-Jan-2017_2_StabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--1568.60879801; Eh
thumbnail.jpeg31-Jan-2017_2_TD-DFT_stabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--1568.94461256; Eh
thumbnail.jpeg31-Jan-2017_1-2_transition_state_Optimization_and_Frequencies_part1Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point Structure---1568.60225803; Eh
Results 1-10 of 87 (Search time: 0.002 seconds).

Discover

Program name
Method