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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Jul-2017Int6cde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; LANL2DZ; SDD-1266.02050277; Eh
thumbnail.jpeg21-Jul-20171ede Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; LANL2DZ-320.694692030; Eh
thumbnail.jpeg26-Sep-2016/Silver AInt2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1804.24799492; Eh
thumbnail.jpeg21-Jul-2017Int12hde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1137.99217859; Eh
thumbnail.jpeg21-Jul-2017Int5kde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1214.21740586; Eh
thumbnail.jpeg21-Jul-2017Int10cde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; LANL2DZ; SDD-1266.07883885; Eh
thumbnail.jpeg20-Jul-20173I1-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ; 6-31G(d)-2233.80191973; Eh
thumbnail.jpeg21-Jul-2017Int8jde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1214.26047540; Eh
thumbnail.jpeg21-Jul-2017Int4abde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1253.48192594; Eh
thumbnail.jpeg19-Jul-2017/Methyl_substituent_(R=Me) I10-2-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ; 6-31G(d)-2233.80814227; Eh
Results 21-30 of 2278 (Search time: 0.001 seconds).