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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Oct-2024 | /B12I8SCN_LeuPro_1_ B12I8SCN_LeuPro_057,4 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3938.91194452; Eh | |||
 | 1-Oct-2024 | /B12I8SCN_LeuPro_1_ B12I8SCN_LeuPro_063,0 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3938.91547476; Eh | |||
 | 1-Oct-2024 | /B12I8SCN_LeuPro_1_ B12I8SCN_LeuPro_005,5 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3938.93385593; Eh | |||
 | 1-Oct-2024 | /B12I8SCN_LeuPro_1_ B12I8SCN_LeuPro_000,0 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3938.93593047; Eh | |||
 | 1-Oct-2024 | /B12I11_LeuPro_1_ B12I11_LeuPro_161,6 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4341.23729051; Eh | |||
 | 1-Oct-2024 | /B12I11_LeuPro_1_ B12I11_LeuPro_163,1 | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4341.23713663; Eh | |||
 | 1-Oct-2024 | /B12I11_LeuPro_1_ B12I11_LeuPro_027,0 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4341.28766253; Eh | |||
 | 1-Oct-2024 | /B12I11_LeuPro_1_ B12I11_LeuPro_055,3 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4341.27692729; Eh | |||
 | 1-Oct-2024 | /B12I11_LeuPro_1_ B12I11_LeuPro_086,8 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4341.26637699; Eh | |||
 | 1-Oct-2024 | /B12I11_LeuPro_1_ B12I11_LeuPro_002,4 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4341.29686515; Eh |
Results 11-20 of 49 (Search time: 0.001 seconds).
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- 49 Boron
- 49 Mass spectrometry
- 49 Peptides
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- 49 Gaussian
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- 49 RB3LYP