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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required23-Jun-2021Ta2H2_mono-to-di_PhNNPhSalom, AntoniGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPLANL2DZ 6-31G(D,P) GENECP-1530.14061214; Eh
Login required23-Jun-2021(Ta(NPh)Cp_Cl2)2Salom, AntoniGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-1529.08647446; 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-2021H2_elimination_TSSalom, AntoniGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPLANL2DZ 6-31G(D,P) GENECP-1530.16578890; Eh
Login required23-Jun-2021H2Salom, AntoniGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G(D,P) GENECP-1.17853938133; Eh
Login required23-Jun-2021Ta2H2(C5H4SiMe3)2Cl4Salom, AntoniGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-810.350390533; Eh
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
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