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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Oct-2024 | /B12I11_LeuPro_1_ B12I11_LeuPro_204,6 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4341.21991439; Eh | |||
 | 1-Oct-2024 | /B12I11_LeuPro_1_ B12I11_LeuPro_135,0 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4341.24546735; Eh | |||
 | 1-Oct-2024 | /B12I11_LeuPro_1_ B12I11_LeuPro_086,9 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4341.26637510; Eh | |||
 | 1-Oct-2024 | /B12I11_LeuPro_1_ B12I11_LeuPro_090,7 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4341.26386585; Eh | |||
 | 1-Oct-2024 | /B12I11_LeuPro_1_ B12I11_LeuPro_156,6 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4341.23988848; Eh | |||
 | 1-Oct-2024 | /B12I11_LeuPro_1_ B12I11_LeuPro_146,6 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4341.24387351; Eh | |||
 | 1-Oct-2024 | /B12I11_LeuPro_1_ B12I11_LeuPro_066,9 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4341.27418957; Eh | |||
 | 1-Oct-2024 | /B12I11_LeuPro_1_ B12I11_LeuPro_063,3 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4341.27479807; Eh | |||
 | 1-Oct-2024 | /B12I11_LeuPro_1_ B12I11_LeuPro_019,7 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4341.29047753; Eh | |||
 | 1-Oct-2024 | /B12I11_LeuPro_1_ B12I11_LeuPro_071,7 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4341.27199444; Eh |
Results 31-40 of 49 (Search time: 0.001 seconds).
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- 49 Boron
- 49 Mass spectrometry
- 49 Peptides
Program name
- 49 Gaussian
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- 49 RB3LYP