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Showing results 1 to 20 of 133  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Nov-202313DNG_neut_C00_OptFreqHaack, AlexanderOrca; 5.0.4; RELEASEGeometry optimization Minimum-def2-TZVPP-754.16782487; Eh
thumbnail.jpeg10-Nov-202313DNG_neut_C01_OptFreqHaack, AlexanderOrca; 5.0.4; RELEASEGeometry optimization Minimum-def2-TZVPP-754.16786071; Eh
thumbnail.jpeg10-Nov-202313DNG_neut_C02_OptFreqHaack, AlexanderOrca; 5.0.4; RELEASEGeometry optimization Minimum-def2-TZVPP-754.16783931; Eh
thumbnail.jpeg10-Nov-202313DNG_neut_C03_OptFreqHaack, AlexanderOrca; 5.0.4; RELEASEGeometry optimization Minimum-def2-TZVPP-754.16794892; Eh
thumbnail.jpeg10-Nov-202313DNG_neut_C04_OptFreqHaack, AlexanderOrca; 5.0.4; RELEASEGeometry optimization Minimum-def2-TZVPP-754.16665707; Eh
thumbnail.jpeg10-Nov-202313DNG_NO3_C00_OptFreqHaack, AlexanderOrca; 5.0.4; RELEASEGeometry optimization Minimum-def2-TZVPP-1034.73986936; Eh
thumbnail.jpeg10-Nov-202313DNG_NO3_C01_OptFreqHaack, AlexanderOrca; 5.0.4; RELEASEGeometry optimization Minimum-def2-TZVPP-1034.74072647; Eh
thumbnail.jpeg10-Nov-202313DNG_NO3_C02_OptFreqHaack, AlexanderOrca; 5.0.4; RELEASEGeometry optimization Minimum-def2-TZVPP-1034.74279874; Eh
thumbnail.jpeg10-Nov-202313DNG_NO3_C03_OptFreqHaack, AlexanderOrca; 5.0.4; RELEASEGeometry optimization-def2-TZVPP-1034.74060049; Eh
thumbnail.jpeg10-Nov-202313DNG_NO3_C04_OptFreqHaack, AlexanderOrca; 5.0.4; RELEASEGeometry optimization Minimum-def2-TZVPP-1034.74135413; Eh
thumbnail.jpeg10-Nov-20231NG_neut_C00_OptFreqHaack, AlexanderOrca; 5.0.4; RELEASEGeometry optimization Minimum-def2-TZVPP-549.59122569; Eh
thumbnail.jpeg10-Nov-20231NG_neut_C01_OptFreqHaack, AlexanderOrca; 5.0.4; RELEASEGeometry optimization Minimum-def2-TZVPP-549.59162551; Eh
thumbnail.jpeg10-Nov-20231NG_neut_C02_OptFreqHaack, AlexanderOrca; 5.0.4; RELEASEGeometry optimization Minimum-def2-TZVPP-549.59376597; Eh
thumbnail.jpeg10-Nov-20231NG_neut_C03_OptFreqHaack, AlexanderOrca; 5.0.4; RELEASEGeometry optimization Minimum-def2-TZVPP-549.58938592; Eh
thumbnail.jpeg10-Nov-20231NG_NO3_C00_OptFreqHaack, AlexanderOrca; 5.0.4; RELEASEGeometry optimization Minimum-def2-TZVPP-830.16081798; Eh
thumbnail.jpeg10-Nov-20231NG_NO3_C01_OptFreqHaack, AlexanderOrca; 5.0.4; RELEASEGeometry optimization Minimum-def2-TZVPP-830.16106407; Eh
thumbnail.jpeg10-Nov-20231NG_NO3_C02_OptFreqHaack, AlexanderOrca; 5.0.4; RELEASEGeometry optimization Minimum-def2-TZVPP-830.16754493; Eh
thumbnail.jpeg10-Nov-20231NG_NO3_C03_OptFreqHaack, AlexanderOrca; 5.0.4; RELEASEGeometry optimization Minimum-def2-TZVPP-830.16568160; Eh
thumbnail.jpeg10-Nov-2023DEGDN_neut_C00_OptFreqHaack, AlexanderOrca; 5.0.4; RELEASEGeometry optimization Minimum-def2-TZVPP-793.50171895; Eh
thumbnail.jpeg10-Nov-2023DEGDN_neut_C01_OptFreqHaack, AlexanderOrca; 5.0.4; RELEASEGeometry optimization Minimum-def2-TZVPP-793.50251209; Eh
Showing results 1 to 20 of 133  next >