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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Feb-2026 | RUFO-I1 | Kirk, Alicia | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | - | DUMMY | -4483.59471753; Eh | |||
| 26-Feb-2026 | RUFO-I5 | Kirk, Alicia | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | - | DUMMY | -4483.56972392; Eh | |||
| 26-Feb-2026 | RUFO-TS6 | Kirk, Alicia | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | - | DUMMY | -4483.54877142; Eh | |||
| 26-Feb-2026 | RUFO-I3 | Kirk, Alicia | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | - | DUMMY | -4483.56406694; Eh | |||
| 26-Feb-2026 | RUFO-TS5 | Kirk, Alicia | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | - | DUMMY | -4483.56235016; Eh | |||
| 26-Feb-2026 | RUFO-TS9 | Kirk, Alicia | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | - | DUMMY | -4483.59686670; Eh | |||
| 26-Feb-2026 | RUFO-P2 | Kirk, Alicia | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | - | DUMMY | -4483.62906874; Eh | |||
| 26-Feb-2026 | RUFO-TS1 | Kirk, Alicia | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | - | DUMMY | -4483.57346859; Eh | |||
| 26-Feb-2026 | RUFO-P3 | Kirk, Alicia | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | - | DUMMY | -4483.59115004; Eh | |||
| 26-Feb-2026 | RUFO-TS7 | Kirk, Alicia | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | - | DUMMY | -4483.54017328; Eh |
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Subject
- 12381 Density functional calculations
- 6967 Radicals
- 6799 Ab initio calculations
- 6766 Aromaticity
- 6643 Magnetic properties
- 6348 Electric Field
- 6348 Magnetoelectricity
- 4188 2D Covalent Organic Frameworks
- 3145 Homogeneous catalysis
- 3047 boron
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