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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Aug-2018 | large_basis_TS-B-5-6-Cl_NiIMes2_ossts_PhCl_t_bb | Maseras, Feliu | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-311+G(d,p) | -2710.30413986; Eh | |||
 | 30-Aug-2018 | large_basis_B-2x-Cl_NiIMes_e2PhCl_bb | Maseras, Feliu | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(d,p) | -1785.80647987; Eh | |||
 | 30-Aug-2018 | large_basis_C-3-Cl_tetNiClPhIXy2_bb | Maseras, Feliu | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(d,p) | -2553.05536121; Eh | |||
 | 30-Aug-2018 | large_basis_A-5-Br_NiITMe2_BrPh_bb | Maseras, Feliu | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(d,p) | -1181.44663653; Eh | |||
 | 30-Aug-2018 | large_basis_NiCODIPhen_NiCODIPhen_bb | Maseras, Feliu | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(d,p) | -1170.02023238; Eh | |||
 | 30-Aug-2018 | large_basis_B-1_NiIMes2_bb | Maseras, Feliu | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(d,p) | -2018.38016785; Eh | |||
 | 30-Aug-2018 | large_basis_TS-D-5-6-Cl_NiIPhen2_ossts_PhCl_t_oss_bb | Maseras, Feliu | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-311+G(d,p) | -2238.33779493; Eh | |||
 | 30-Aug-2018 | large_basis_TS-D-5-6-Cl_NiIPhen2_ossts_PhCl_t_bb | Maseras, Feliu | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-311+G(d,p) | -2238.31537306; Eh | |||
 | 30-Aug-2018 | large_basis_TS-A-2-3-Cl_NiITMe2_OATS_PhCl_bb | Maseras, Feliu | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(d,p) | -1628.51976840; Eh | |||
 | 30-Aug-2018 | large_basis_B-2-Br_NiIMes2_eta2_PhBr_bb | Maseras, Feliu | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(d,p) | -2263.26770899; Eh |
Results 61-70 of 88 (Search time: 0.002 seconds).