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-Nov-2018/RS_1_to_RRS_1_DFT RS-1toRRS-2_B3LYP_6-31plGdp_RS-1reactantVan der Kamp, Marc; Serapian, StefanoGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYP--1612.75445359; Eh
thumbnail.jpeg19-Nov-2018/RS_1_to_RRS_1_DFT RS-1toRRS-2_B3LYP_6-31plGdp_RRS-2productVan der Kamp, Marc; Serapian, StefanoGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYP--1612.74749856; Eh
thumbnail.jpeg19-Nov-2018/RS_1_to_RRS_1_DFT RS-1toRRS-2_B3LYP_6-31plGdp_transition-stateVan der Kamp, Marc; Serapian, StefanoGaussian; 09; ES64L-G09RevD.01Single point MinimumRB3LYP--1612.70986788; Eh
thumbnail.jpeg19-Nov-2018/SR_1_to_RSR_1_DFT SR-1toRSR-2_B3LYP_6-31plGdp_RSR-2productVan der Kamp, Marc; Serapian, StefanoGaussian; 09; ES64L-G09RevD.01Single point StructureRB3LYP--1612.74963446; Eh
Login required3-May-2019b3lyp-Co-16-OH-III-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYPlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1765.05942396; Eh
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
Results 11-20 of 115 (Search time: 0.001 seconds).