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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Oct-2017M4_OrcaBorowski, TomaszOrca; 3.0.3; RELEASEGeometry optimizationDFTSV(P)-3474.06592902; Eh
thumbnail.jpeg30-Oct-2017M2_OrcaBorowski, TomaszOrca; 3.0.3; RELEASESingle pointDFTSV(P)-3739.35147842; Eh
thumbnail.jpeg9-Sep-2016testMilocco, FrancescaADF; 2009; 01Single point NMRDFT--
thumbnail.jpeg22-Jul-2017/L-N2Me2/STEP_5 Freq_step5e_M06_S12gAngelone, DavideADF; 2013; 01Single point MinimumDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2Me2/STEP_4_TS45 SP_TS45i_M02_S12gAngelone, DavideADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2Me2/STEP_4 SP_step4_M04_S12gAngelone, DavideADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg9-Sep-2016aceticOtten, EdwinMolcas; 8.0Geometry optimizationDFTANO-S-
thumbnail.jpeg22-Jul-2017/L-N2Me2/STEP_5_TS56 SP_TS56i_M06_S12gAngelone, DavideADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2Me2/STEP_3_TS34 SP_TS34_M06_S12gAngelone, DavideADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg30-Oct-2017M3_OrcaBorowski, TomaszOrca; 3.0.2; RELEASESingle pointDFTSV(P)-3303.10200513; Eh
Results 11-20 of 320 (Search time: 0.001 seconds).