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.jpeg31-Jan-2017Optimization_and_Frequencies_part_2Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBED95(d); SDD-4259.64360059; Eh
thumbnail.jpeg31-Jan-2017Optimization_and_Frequencies_part_1Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBED95(d); SDD-4259.64360019; Eh
thumbnail.jpeg19-Sep-2016/Ta6 DFT_StabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--1772.70264428; Eh
thumbnail.jpeg31-Jan-2017TD-DFT_stabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--4757.92369417; Eh
thumbnail.jpeg31-Jan-2017TD-DFTSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE; TD-FC--4757.92369416; Eh
thumbnail.jpeg19-Sep-2016/Ta6 RefreqSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--1772.70264434; Eh
thumbnail.jpeg19-Sep-2016/Cs4_Ta6 TD-DFTSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE; TD-FC--1853.73799692; Eh
thumbnail.jpeg19-Sep-2016/Cs4_Ta6 DFT_stabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--1853.20431191; Eh
thumbnail.jpeg31-Jan-2017_2_Optimization_and_Frequencies_part4Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBED95(d); SDD-5546.14636148; Eh
thumbnail.jpeg31-Jan-2017_2_Optimization_and_Frequencies_part3Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBED95(d); SDD-5546.14639183; Eh
Results 51-60 of 174 (Search time: 0.001 seconds).