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.jpeg29-Jan-2016TS3(Opt)Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBEPBE6-311G(d,p); LANL2DZ-5146.12281564; Eh
thumbnail.jpeg29-Jan-2016M5(Opt)Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-311G(d,p); LANL2DZ-5146.12189337; Eh
thumbnail.jpeg9-May-2016PdII_Cl2_O2Jover Modrego, JesúsGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRPBEPBE6-31+G*; SDD-1198.50814293; Eh
thumbnail.jpeg29-Jan-2016b-M-4+_Optimisation_and_Frequency_CalculationSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-311G(d,p); LANL2DZ-880.737464017; Eh
thumbnail.jpeg29-Jan-2016M3(Freq)Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRPBEPBE6-311G(d,p); LANL2DZ-5146.12311564; Eh
thumbnail.jpeg9-May-2016TS_IVJover Modrego, JesúsGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRPBEPBE6-31+G*; SDD-970.466717438; Eh
thumbnail.jpeg29-Jan-2016TS5(Freq)Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRPBEPBE6-311G(d,p); LANL2DZ-5146.11839579; Eh
thumbnail.jpeg29-Jan-2016f-P-4+_Optimisation_and_Frequency_CalculationSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-311G(d,p); LANL2DZ-880.737460414; Eh
thumbnail.jpeg9-May-2016Pd2OAc4Jover Modrego, JesúsGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-31+G*; SDD-1168.90110807; Eh
thumbnail.jpeg29-Jan-2016M3(Opt)Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-311G(d,p); LANL2DZ-5146.12311564; Eh
Results 1-10 of 90 (Search time: 0.002 seconds).