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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
Login required9-Jan-20212a-gasKojasoy, VolgaGaussian; 16; ES64L-G16RevC.01Single point StructureRB3LYP6-31G(D)-
Login required9-Jan-20211a-gasKojasoy, VolgaGaussian; 16; ES64L-G16RevC.01Single point StructureRB3LYP6-31G(D)-
Login required9-Jan-2021P6-gasKojasoy, VolgaGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-31G(D)-
Login required9-Jan-2021n2-gasKojasoy, VolgaGaussian; 16; ES64L-G16RevC.01Single point StructureRB3LYP6-31G(D)-
thumbnail.jpeg24-Feb-2019Monoterpenes-39-G4Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RCCSD; RMP4SDTQ; RMP2-Full; RHF; G4--388.1080566; Eh
thumbnail.jpeg24-Feb-2019Monoterpenes-43-G4Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RCCSD; RMP4SDTQ; RMP2-Full; RHF; G4--388.1069339; Eh
thumbnail.jpeg24-Feb-2019Monoterpenes-42-G4Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RCCSD; RMP4SDTQ; RMP2-Full; RHF; G4--388.0968166; Eh
thumbnail.jpeg24-Feb-2019Monoterpenes-41-G4Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RCCSD; RMP4SDTQ; RMP2-Full; RHF; G4--388.0939724; Eh
thumbnail.jpeg24-Feb-2019Monoterpenes-45-G4Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RCCSD; RMP4SDTQ; RMP2-Full; RHF; G4--388.1067808; Eh
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