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.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
thumbnail.jpeg9-Nov-20193_layer_IPMukherjee, MadhubaniOrca; 4.0; CURRENTSingle pointRHF; HFFRAGMENTINTERACTION--18158.43963682; Eh
thumbnail.jpeg11-Nov-2019Final_3_layer_IP_filesMukherjee, MadhubaniOrca; 4.0; CURRENTSingle pointRHF; HFFRAGMENTINTERACTION--18158.43963682; Eh
thumbnail.jpeg11-Nov-20193-_layer_IPMukherjee, MadhubaniOrca; 4.0; CURRENTSingle pointRHF; HFFRAGMENTINTERACTION--18158.43963682; Eh
Results 1-10 of 62 (Search time: 0.001 seconds).