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Browsing by Author Kiriakidi, Sofia

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Showing results 41 to 60 of 260 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Jan-20233-sKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3PW91DEF2SVP-1525.861986; Eh
thumbnail.jpeg4-Jul-20233-sKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Single point StructureUB3PW91DEF2TZVPP-1526.8189369; Eh
thumbnail.jpeg4-Jul-20233-sKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3PW91DEF2SVP-1525.861986; Eh
thumbnail.jpeg4-Jul-20233-tKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Single point StructureUB3PW91DEF2SVP-1525.7787742; Eh
thumbnail.jpeg9-Jan-20243_catalystKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Single point StructureRB3LYPGEN-2726.9879612; Eh
thumbnail.jpeg9-Jan-20243_catalystKiriakidi, SofiaGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGEN-2727.0465577; Eh
thumbnail.jpeg9-Jan-20243primeKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Single point StructureRB3LYPGEN-1471.5853731; Eh
thumbnail.jpeg9-Jan-20243primeKiriakidi, SofiaGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-31+G(D,P)-1471.6251518; Eh
thumbnail.jpeg9-Jan-20243prime_catalystKiriakidi, SofiaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPGEN-2727.00428422; Eh
thumbnail.jpeg9-Jan-20243prime_catalystKiriakidi, SofiaGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGEN-2727.0666908; Eh
thumbnail.jpeg9-Jan-20243primeprimeKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPGEN-1471.5861066; Eh
thumbnail.jpeg9-Jan-20243primeprimeKiriakidi, SofiaGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-31+G(D,P) GEN-1471.6243199; Eh
thumbnail.jpeg9-Jan-20244Kiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Single point StructureRB3LYPGEN-2363.10844871; Eh
thumbnail.jpeg9-Jan-20244Kiriakidi, SofiaGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGEN-2363.1607621; Eh
thumbnail.jpeg9-Jan-20244Kiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Single point StructureRB3LYPGEN-3037.2119233; Eh
thumbnail.jpeg9-Jan-20244Kiriakidi, SofiaGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGEN-3037.2691728; Eh
thumbnail.jpeg20-Jan-20234-sKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3PW91DEF2SVP-1525.8580785; Eh
thumbnail.jpeg16-Jan-20234-sKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3PW91DEF2SVP-1525.8580785; Eh
thumbnail.jpeg4-Jul-20234-sKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3PW91DEF2SVP-1525.8580785; Eh
thumbnail.jpeg4-Jul-20234-sKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Single point StructureUB3PW91DEF2TZVPP-1526.8119355; Eh
Showing results 41 to 60 of 260 < previous   next >