Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Jul-2017/Methyl_substituent_(R=Me) I6-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ; 6-31G(d)-2233.85204627; Eh
thumbnail.jpeg19-Jul-2017/Methyl_substituent_(R=Me) I5-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ; 6-31G(d)-2233.80654139; Eh
thumbnail.jpeg19-Jul-2017/Hydrogen_substituent_(R=H) 3I0ad-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ; 6-31G(d)-2194.42346857; Eh
thumbnail.jpeg19-Jul-2017/Hydrogen_substituent_(R=H) 3I1-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ; 6-31G(d)-2194.48580334; Eh
thumbnail.jpeg19-Jul-2017/Hydrogen_substituent_(R=H) 3I8-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ; 6-31G(d)-2194.49637548; Eh
thumbnail.jpeg19-Jul-2017/Hydrogen_substituent_(R=H) I3-2-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ; 6-31G(d)-2194.48044599; Eh
thumbnail.jpeg19-Jul-2017/Hydrogen_substituent_(R=H) I10-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ; 6-31G(d)-2194.50962439; Eh
thumbnail.jpeg19-Jul-2017/Hydrogen_substituent_(R=H) I11-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ; 6-31G(d)-2194.52668736; Eh
thumbnail.jpeg19-Jul-2017/Hydrogen_substituent_(R=H) I12-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ; 6-31G(d)-2194.57526589; Eh
thumbnail.jpeg19-Jul-2017/Hydrogen_substituent_(R=H) I2-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ; 6-31G(d)-2194.49337919; Eh
Results 11-20 of 100 (Search time: 0.001 seconds).

Discover

Program name