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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 6-Mar-2026 | aldol_neutral_initial_TS308_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265676828853; Eh | - | - | |
![]() | 6-Mar-2026 | aldol_neutral_initial_TS318_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.262072922898; Eh | - | - | |
![]() | 6-Mar-2026 | aldol_neutral_initial_TS320_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263637272688; Eh | - | - | |
![]() | 6-Mar-2026 | aldol_neutral_initial_TS327_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264322807496; Eh | - | - | |
![]() | 6-Mar-2026 | aldol_neutral_initial_TS331_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265465548766; Eh | - | - | |
![]() | 6-Mar-2026 | aldol_neutral_initial_TS330_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.261291732305; Eh | - | - | |
![]() | 6-Mar-2026 | aldol_neutral_initial_TS302_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265031401354; Eh | - | - | |
![]() | 6-Mar-2026 | aldol_neutral_initial_TS303_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263656443900; Eh | - | - | |
| 6-Mar-2026 | /fluronapthalene/sp/5F_isomer_60 5F_isomer_60 | Charapale, Omkar | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | RMN15 | CBSB3** 6-311G(2DF,2P) | -881.5041597; Eh | ||||
| 6-Mar-2026 | /fluronapthalene/sp/6F_isomer_65 6F_isomer_65 | Charapale, Omkar | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | RMN15 | CBSB3** 6-311G(2DF,2P) | -980.6988987; Eh |
Results 392111-392120 of 401714 (Search time: 0.265 seconds).
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Subject
- 12577 Density functional calculations
- 6967 Radicals
- 6799 Ab initio calculations
- 6766 Aromaticity
- 6643 Magnetic properties
- 6348 Electric Field
- 6348 Magnetoelectricity
- 4188 2D Covalent Organic Frameworks
- 3761 BF3 Solvation
- 3145 Homogeneous catalysis
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