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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Jan-2023ts-45-sKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3PW91DEF2SVP-1525.8366611; Eh
thumbnail.jpeg16-Jan-2023ts-45-IRCKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Single point Structure-DEF2SVP-1525.86093206; Eh
thumbnail.jpeg16-Jan-2023ts-34-REVKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Single point Structure-DEF2SVP-1525.86301506; Eh
thumbnail.jpeg16-Jan-20231-red-tKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3PW91DEF2SVP-1139.9266952; Eh
thumbnail.jpeg16-Jan-20236-tKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3PW91DEF2SVP-1576.2366855; Eh
thumbnail.jpeg16-Jan-20237-sKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3PW91DEF2SVP-1576.2348318; Eh
thumbnail.jpeg16-Jan-2023nitrobenzylKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3PW91DEF2SVP-361.1380361; Eh
thumbnail.jpeg16-Jan-2023waterKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3PW91DEF2SVP-76.3355833; Eh
thumbnail.jpeg16-Jan-2023ts-34-sKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3PW91DEF2SVP-1525.8417666; Eh
thumbnail.jpeg16-Jan-2023ts-23-sKiriakidi, SofiaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3PW91DEF2SVP-1525.8126191; Eh
Results 1-10 of 32 (Search time: 0.001 seconds).