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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Oct-2019IN3_isoPetter, DunåsGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPGEN-
thumbnail.jpeg23-Oct-20193aaPetter, DunåsGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPGEN-
thumbnail.jpeg23-Oct-201910Petter, DunåsGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPGEN-
thumbnail.jpeg24-Feb-2019Monoterpenes-51-G4Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RCCSD; RMP4SDTQ; RMP2-Full; RHF; G4--388.0393193; Eh
thumbnail.jpeg24-Feb-2019Monoterpenes-49-G4Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RMP4SDTQ; RCCSD; RMP2-Full; RHF; G4--388.1034847; Eh
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
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