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.jpeg28-Apr-2020TS1Garcia Melchor, MaxGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1915.49048819; Eh
thumbnail.jpeg28-Apr-2020TS2Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1998.71424446; Eh
thumbnail.jpeg28-Apr-2020TS3Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1916.67830272; Eh
thumbnail.jpeg28-Apr-2020TS4Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1916.68733140; Eh
thumbnail.jpeg28-Apr-2020TS5Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1997.54407607; Eh
thumbnail.jpeg28-Apr-2020TS-assoc-NH_actGarcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-2163.67092640; Eh
thumbnail.jpeg28-Apr-2020TS-BH_actGarcia Melchor, MaxGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRwB97XDSDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN-1915.47292821; Eh
thumbnail.jpeg3-May-2019Ru-4-OHf-dispffbf07-bCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1505.15434010; Eh
thumbnail.jpeg3-May-2019Mn-10-O-dispbffCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-1341.67243943; Eh
thumbnail.jpeg3-May-2019Ni-17-OH-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization TSUTPSShlanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)-2381.13968413; Eh
Results 1-10 of 309 (Search time: 0.002 seconds).