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.jpeg30-Aug-2018large_basis_TS-C-5-6-Cl_NiIXy2_ClPh_spt_spsMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G(d,p)-2553.00094615; Eh
thumbnail.jpeg30-Aug-2018small_basis_A-6-I_NiIITMe2Maseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G*-947.830284938; Eh
thumbnail.jpeg30-Aug-2018large_basis_D-6-Cl_NiClIPhen2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G(d,p)-2006.71966450; Eh
thumbnail.jpeg30-Aug-2018large_basis_C-6-Cl_NiClIXy2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G(d,p)-2321.37875378; Eh
thumbnail.jpeg30-Aug-2018large_basis_TS-A-5-6-Br_NiITMe2_ossts_PhBr_t_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G(d,p)-1181.41909459; Eh
thumbnail.jpeg30-Aug-2018large_basis_TS-A-5-6-Br_NiITMe2_ossts_PhBr_t_oss_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G(d,p)-1181.44251873; Eh
thumbnail.jpeg30-Aug-2018large_basis_TS-B-5-6-Br_NiIMes2_ossts_PhBr_t_oss_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G(d,p)-2263.28344836; Eh
thumbnail.jpeg30-Aug-2018large_basis_TS-A-5-6-Cl_NiITMe2_ossts_PhCl_t_oss_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G(d,p)-1628.48697466; Eh
thumbnail.jpeg30-Aug-2018large_basis_TS-B-5-6-I_NiIMes2_ossts_PhI_t_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G(d,p)-2261.48124081; Eh
thumbnail.jpeg30-Aug-2018large_basis_B-6-I_NiIIMes2_bbMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G(d,p)-2029.87272324; Eh
Results 21-30 of 47 (Search time: 0.001 seconds).