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-2017_1_stabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBED95(d); SDD-5546.14293495; Eh
thumbnail.jpeg31-Jan-2017_2constrained_TD-DFTSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE; TD-FC--5758.33247866; Eh
thumbnail.jpeg31-Jan-2017TD-DFTSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE; TD-FC--4757.92369416; Eh
thumbnail.jpeg31-Jan-2017_1_stabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--1298.49164834; Eh
thumbnail.jpeg31-Jan-2017_2_Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBE--1568.58267882; Eh
thumbnail.jpeg31-Jan-2017_2_def2TZVP_singlepointSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--5758.37876707; Eh
thumbnail.jpeg31-Jan-2017_2_StabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--1298.49825930; Eh
thumbnail.jpeg31-Jan-2017Optimization_and_Frequencies_part_2Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBED95(d); SDD-4259.64360059; Eh
thumbnail.jpeg31-Jan-2017_2_TD-DFTSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE; TD-FC--5758.40376150; Eh
thumbnail.jpeg31-Jan-2017_2_StabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBED95(d); SDD-5546.14718331; Eh
Results 31-40 of 174 (Search time: 0.001 seconds).