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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 1_ST | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVPP | -3884.84651615; Eh | |||
 | 1-Oct-2025 | /B3LYP 3_C3H5 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3408.36005257; Eh | |||
 | 1-Oct-2025 | /B3LYP 4_MA | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVPP | -3894.81393865; Eh | |||
 | 1-Oct-2025 | /B3LYP 5_I | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -28988.3385986; Eh | |||
 | 1-Oct-2025 | /B3LYP 3_ST | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVPP | -3600.77972429; Eh | |||
 | 1-Oct-2025 | /B3LYP 5 | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | UB3LYP | DEF2TZVPP | -28690.4883079; Eh | |||
 | 1-Oct-2025 | /B3LYP 2_I | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -1618.59541501; Eh | |||
 | 1-Oct-2025 | /B3LYP 4_I | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3886.01390468; Eh | |||
 | 1-Oct-2025 | /B3LYP 3_I+4_H | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3588.81994532; Eh | |||
 | 1-Oct-2025 | /B3LYP 5_C3H5 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -28807.9202204; Eh |
Results 31-40 of 129 (Search time: 0.001 seconds).
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- 129 Boron
- 129 Mass spectrometry
- 129 Radical reactions
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- 129 Gaussian
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