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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
9-Nov-2018 | /vacuum/complexes ofenomosh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1494.43685980; Eh | ||||
9-Nov-2018 | /vacuum/complexes ofenomno3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -559.658177294; Eh | ||||
9-Nov-2018 | /vacuum/complexes ofenok | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -258.201956039; Eh | ||||
9-Nov-2018 | /vacuum/complexes ofenofecl2sextup | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | UB3LYP | 6-31+g*; sdd | -1274.17400025; Eh | ||||
9-Nov-2018 | /vacuum/complexes nme3ZrCl5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -2523.03164390; Eh | ||||
9-Nov-2018 | /vacuum/complexes ofenoalcl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g* | -1853.29552364; Eh | ||||
9-Nov-2018 | /vacuum/complexes nme3pdhph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -989.160404601; Eh | ||||
9-Nov-2018 | /vacuum/complexes nh2tame4piram | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -272.659095677; Eh | ||||
9-Nov-2018 | /vacuum/complexes nh2rush4 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -1746.21541464; Eh | ||||
9-Nov-2018 | /vacuum/complexes nh2pdhph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -870.789271402; Eh |
Results 11-20 of 683 (Search time: 0.001 seconds).