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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Aug-2018small_basis_B-2-I_NiIMes2_eta2PhI_fBr_nosolv_fixCI_solvMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*-2260.92973630; Eh
thumbnail.jpeg30-Aug-2018small_basis_NiCOD2_NiCOD2Maseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*-793.490504758; Eh
thumbnail.jpeg30-Aug-2018small_basis_B-3-I_NiIMes2_PhIeta2_fromBrMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*-2260.99503146; Eh
thumbnail.jpeg30-Aug-2018small_basis_A-3-Br_cis-NiBrPhITMe2_sqpMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*-1181.26427431; Eh
thumbnail.jpeg30-Aug-2018small_basis_C-5-Cl_NiIXy2_ClPhMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*-2552.46600091; Eh
thumbnail.jpeg30-Aug-2018small_basis_ITMe_ITMe_genecpMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*-383.459596056; Eh
thumbnail.jpeg30-Aug-2018small_basis_B-2-Cl_NiClPhIMes2_scanCCl_s13_optts3_ircrev_optMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*-2709.73313454; Eh
thumbnail.jpeg30-Aug-2018small_basis_TS-B-2-3-Cl_NiClPhIMes2_scanCCl_s13_optts3Maseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G*-2709.72833218; Eh
thumbnail.jpeg30-Aug-2018small_basis_C-1_NiIXy2Maseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*-1860.60303884; Eh
thumbnail.jpeg30-Aug-2018small_basis_PhCl_PhCl_gMaseras, FeliuGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G*-691.852584077; Eh
Results 11-20 of 116 (Search time: 0.001 seconds).