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.jpeg26-Sep-2023(3,2,0)_1Mates Torres, Ericvasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-onlyGeometry optimizationDFT--1320.05266896; eV
thumbnail.jpeg26-Sep-2023(1,0,1)_5Mates Torres, Ericvasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-onlyN/ADFT--570.84791578; eV
thumbnail.jpeg26-Sep-2023(1,2,3)_2Mates Torres, Ericvasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-onlyN/ADFT--940.26806206; eV
thumbnail.jpeg26-Sep-2023(2,1,1)_1Mates Torres, Ericvasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-onlyN/ADFT--834.72341999; eV
thumbnail.jpeg26-Sep-2023(0,1,3)_3Mates Torres, Ericvasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-onlyN/ADFT--957.18466046; eV
Login required8-Apr-2024/figure_1 1I2LiEMu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1463.49345975; Eh
Login required8-Apr-2024/figure_1 1I3LiEMu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1463.49160030; Eh
Login required8-Apr-2024/figure_1 1I1LiEMu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1463.48273706; Eh
Login required8-Apr-2024/figure_1 1TS2LiEMu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1463.46273420; Eh
Login required8-Apr-2024/figure_1 1TS1LiEMu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1463.46570269; Eh
Results 1911-1920 of 1937 (Search time: 0.003 seconds).