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Browsing by Author Kiriakidi, Sofia

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Showing results 81 to 100 of 260 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Jan-20246Kiriakidi, SofiaGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGEN-3401.1362761; Eh
thumbnail.jpeg4-Jul-20236-sKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Single point StructureUB3PW91DEF2SVP-1576.203712; Eh
thumbnail.jpeg20-Jan-20236-tKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3PW91DEF2SVP-1576.2366855; Eh
thumbnail.jpeg16-Jan-20236-tKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3PW91DEF2SVP-1576.2366855; Eh
thumbnail.jpeg4-Jul-20236-tKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3PW91DEF2SVP-1576.2366855; Eh
thumbnail.jpeg4-Jul-20236-tKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Single point StructureUB3PW91DEF2TZVPP-1577.2430392; Eh
thumbnail.jpeg4-Jul-20236-t-no-waterKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3PW91DEF2SVP-1576.2348318; Eh
thumbnail.jpeg9-Jan-20247Kiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPGEN-2726.96264; Eh
thumbnail.jpeg9-Jan-20247Kiriakidi, SofiaGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGEN-2727.024461; Eh
thumbnail.jpeg9-Jan-20247Kiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Single point StructureRB3LYPGEN-3401.07109887; Eh
thumbnail.jpeg9-Jan-20247Kiriakidi, SofiaGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGEN-3401.1347926; Eh
thumbnail.jpeg20-Jan-20237-sKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3PW91DEF2SVP-1576.2348318; Eh
thumbnail.jpeg16-Jan-20237-sKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3PW91DEF2SVP-1576.2348318; Eh
thumbnail.jpeg4-Jul-20237-sKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Single point StructureUB3PW91DEF2TZVPP-1577.2471744; Eh
thumbnail.jpeg4-Jul-20237-sKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3PW91DEF2SVP-1576.242033; Eh
thumbnail.jpeg4-Jul-20237-s-no-waterKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3PW91DEF2SVP-1499.8758804; Eh
thumbnail.jpeg4-Jul-20237-tKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3PW91DEF2SVP-1576.2308963; Eh
thumbnail.jpeg4-May-202371-sKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3PW91DEF2SVP-1576.2547984; Eh
thumbnail.jpeg4-Jul-202371-sKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3PW91DEF2SVP-1576.2547984; Eh
thumbnail.jpeg9-Jan-20248Kiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPGEN-2363.1048366; Eh
Showing results 81 to 100 of 260 < previous   next >