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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required23-Jun-2021Ta2H2-two_N-bridgeSalom, AntoniGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-1529.04760950; Eh
Login required23-Jun-2021Ta2H2-mono_PhNNPhSalom, AntoniGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-1530.15262654; Eh
Login required23-Jun-2021Ta2H2-one_N-bridgeSalom, AntoniGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-1530.21281568; Eh
Login required23-Jun-2021Ta2H2(C5Me4H)2Cl4Salom, AntoniGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-878.738358270; Eh
Login required23-Jun-2021NN_bond_breaking_TSSalom, AntoniGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPLANL2DZ 6-31G(D,P) GENECP-1529.01704125; Eh
Login required23-Jun-2021NH_intermediateSalom, AntoniGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-1530.16457749; Eh
Login required23-Jun-2021Ta(NPh)Cp_Cl2Salom, AntoniGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-764.544447645; Eh
Login required23-Jun-2021H2Salom, AntoniGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G(D,P) GENECP-1.17853938133; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/MeOH AMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-858.925287712; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/MeOH TSAMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P)-1618.35676855; Eh
Results 351-360 of 449 (Search time: 0.001 seconds).