Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
2-May-2019 | cat10_TS4synsi | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -1861.37034077; Eh | ||||
2-May-2019 | cat8_TS4synsiB_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -1935.5465045; Eh | ||||
2-May-2019 | cat8_TS4synsiB | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -1935.38164648; Eh | ||||
2-May-2019 | cat8_TS4antireB | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -1935.39128569; Eh | ||||
2-May-2019 | cat8_TS4synsiA | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -1935.38431369; Eh | ||||
2-May-2019 | TS4synsiA | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point TS | RB97D | - | -2678.81640798; Eh | ||||
2-May-2019 | cat7_TS4antire_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -2370.7709949; Eh | ||||
2-May-2019 | TS4synsiB | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -2678.81326931; Eh | ||||
2-May-2019 | TS4antireB | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | RB97D | - | -2678.82527534; Eh | ||||
2-May-2019 | cat8_TS4antireA_sp | Besora, Maria | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RB97D | - | -1935.552666; Eh |
Results 321-330 of 340 (Search time: 0.002 seconds).
Discover
Subject
Calculation type