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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Oct-2025 | /B3LYP 4_ST | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVPP | - | |||
 | 1-Oct-2025 | /B3LYP 3 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVPP | -3290.90394412; Eh | |||
 | 1-Oct-2025 | /B3LYP 2 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVPP | -1320.67642885; Eh | |||
 | 1-Oct-2025 | /M062X B_MA_TS | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.02 | Geometry optimization TS | UM062X | DEF2TZVPP | -862.097989289; Eh | |||
 | 1-Oct-2025 | /M062X H2C2B10I9_Allyl_iodide_PRC_DB | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.02 | Geometry optimization Minimum | UM062X | DEF2TZVPP | -3419.94734529; Eh | |||
 | 1-Oct-2025 | /M062X B_MA | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.02 | Geometry optimization Minimum | UM062X | DEF2TZVPP | -862.164523663; Eh | |||
 | 1-Oct-2025 | /M062X 3_MA_TS | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization TS | UM062X | DEF2TZVPP | -3595.52221305; Eh | |||
 | 1-Oct-2025 | /M062X 3_Allyl_iodide_TS_DB | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization TS | UM062X | DEF2TZVPP | -3703.98039339; Eh | |||
 | 1-Oct-2025 | /M062X 1_MA_PRC | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UM062X | DEF2TZVPP | -3879.42294961; Eh | |||
 | 1-Oct-2025 | /M062X 4_ST_PRC | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | UM062X | DEF2TZVPP | -3895.73094831; Eh |
Results 71-80 of 129 (Search time: 0.002 seconds).
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Subject
- 129 Boron
- 129 Mass spectrometry
- 129 Radical reactions
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- 129 Gaussian
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