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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
29-Jan-2018 | M2_nap | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d) | -615.486637560; Eh | ||||
29-Jan-2018 | M2 | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d) | -461.959762518; Eh | ||||
29-Jan-2018 | t_10´-11´_nap | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-31g(d); SDD | -3504.74410128; Eh | ||||
29-Jan-2018 | t12´_nap | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); SDD | -3504.75359055; Eh | ||||
29-Jan-2018 | t9´_nap | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); SDD | -3504.75103608; Eh | ||||
29-Jan-2018 | t10´ | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); SDD | -3197.69270090; Eh | ||||
29-Jan-2018 | t1 | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); SDD | -2273.73960323; Eh | ||||
29-Jan-2018 | co2 | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d) | -188.471959860; Eh | ||||
29-Jan-2018 | t2_nap | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); SDD | -3077.73994882; Eh | ||||
29-Jan-2018 | t12´ | Kuniyil, Rositha | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); SDD | -3197.69430686; Eh |
Results 151-160 of 163 (Search time: 0.001 seconds).