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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_IMes_IMes_bb | Maseras, Feliu | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(d,p) | -924.480889126; Eh | |||
 | 30-Aug-2018 | large_basis_PhI_PhI_bb | Maseras, Feliu | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(d,p) | -243.107614001; Eh | |||
 | 30-Aug-2018 | large_basis_TS-B-5-6-I_NiIMes2_ossts_PhI_t_ossts_bb | Maseras, Feliu | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-311+G(d,p) | -2261.50730351; Eh | |||
 | 30-Aug-2018 | large_basis_TS-C-5-6-Cl_NiIXy2_ClPh_spt | Maseras, Feliu | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-311+G(d,p) | -2552.97818662; Eh | |||
 | 30-Aug-2018 | large_basis_A-4-Br_trans-NiBrPhITMe2_bb | Maseras, Feliu | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(d,p) | -1181.54575592; Eh | |||
 | 30-Aug-2018 | large_basis_B-3-I_tetNiIPhIMes2_bb | Maseras, Feliu | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(d,p) | -2261.54374849; Eh | |||
 | 30-Aug-2018 | large_basis_C-1_NiIXy2_bb | Maseras, Feliu | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(d,p) | -1861.05447589; Eh | |||
 | 30-Aug-2018 | large_basis_TS-B-5-6-Br_NiIMes2_ossts_PhBr_t_bb | Maseras, Feliu | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-311+G(d,p) | -2263.26214208; Eh | |||
 | 30-Aug-2018 | large_basis_B-2-Cl_NiIMes2_eta2_PhCl_bb | Maseras, Feliu | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(d,p) | -2710.32115799; Eh | |||
 | 30-Aug-2018 | large_basis_B-5-Br_NiIMes2_BrPh_bb | Maseras, Feliu | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(d,p) | -2263.28686329; Eh |
Results 31-40 of 88 (Search time: 0.001 seconds).