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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Oct-2025 | /M062X HCB11F10_Allyl_iodide_I | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.02 | Geometry optimization Minimum | UM062X | DEF2TZVPP | -1726.39463802; Eh | |||
 | 1-Oct-2025 | /M062X Q_Allyl_iodide_PRC_I | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.02 | Geometry optimization Minimum | UM062X | DEF2TZVPP | -816.517553949; Eh | |||
 | 1-Oct-2025 | /M062X 3_ST_TS | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization TS | UM062X | DEF2TZVPP | -3598.67896099; Eh | |||
 | 1-Oct-2025 | /M062X 1_Allyl_iodide_TS_I | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.02 | Geometry optimization TS | UM062X | DEF2TZVPP | -3987.85924403; Eh | |||
 | 1-Oct-2025 | /M062X B_ST_PRC | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.02 | Geometry optimization Minimum | UM062X | DEF2TZVPP | -865.265344829; Eh | |||
 | 1-Oct-2025 | /M062X Q_Allyl_iodide_PRC_DB | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | UM062X | DEF2TZVPP | -816.513393793; Eh | |||
 | 1-Oct-2025 | /M062X 3_MA_PRC | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UM062X | DEF2TZVPP | -3595.52329802; Eh | |||
 | 1-Oct-2025 | /M062X 1_MA_TS | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization TS | UM062X | DEF2TZVPP | -3879.42219927; Eh | |||
 | 1-Oct-2025 | /M062X 4_Allyl_iodide_PRC_I | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | UM062X | DEF2TZVPP | -4001.03025616; Eh |
Results 121-129 of 129 (Search time: 0.002 seconds).
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Subject
- 129 Boron
- 129 Mass spectrometry
- 129 Radical reactions
Program name
- 129 Gaussian
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