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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Feb-2019Monoterpenes-46-G4Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RCCSD; RMP4SDTQ; RMP2-Full; RHF; G4--388.1055565; Eh
thumbnail.jpeg24-Feb-2019Monoterpenes-47-G4Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RCCSD; RMP4SDTQ; RMP2-Full; RHF; G4--388.0913754; Eh
thumbnail.jpeg24-Feb-2019Monoterpenes-48-G4Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RCCSD; RMP4SDTQ; RMP2-Full; RHF; G4--388.0898877; Eh
thumbnail.jpeg24-Feb-2019Monoterpenes-50-G4Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RCCSD; RMP4SDTQ; RMP2-Full; RHF; G4--388.052328; Eh
thumbnail.jpeg24-Feb-2019Monoterpenes-52-G4Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RCCSD; RMP4SDTQ; RMP2-Full; RHF; G4--387.9966832; Eh
thumbnail.jpeg27-Feb-2020TS1-E_trans_outPetter, DunåsGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPGEN-
thumbnail.jpeg27-Feb-2020TS1-E_cis_outPetter, DunåsGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPGEN-
thumbnail.jpeg27-Feb-2020TS1-E_cis_inPetter, DunåsGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPGEN-
thumbnail.jpeg27-Feb-2020TS1_bidentate_OAcPetter, DunåsGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPGEN-
thumbnail.jpeg22-Mar-2020/B3LYP_BS1_optimized_structures ga_b3l_dmadprodG. Algarra, AndrésGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D,P) SDDALL GEN-2967.05169175; Eh
Results 41-50 of 187 (Search time: 0.002 seconds).