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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_009,8 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4341.29449996; Eh | |||
 | 1-Oct-2024 | /B12I11_LeuPro_1_ B12I11_LeuPro_080,2 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4341.26845780; Eh | |||
 | 1-Oct-2024 | /B12I11_LeuPro_1_ B12I11_LeuPro_073,5 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4341.27090638; Eh | |||
 | 1-Oct-2024 | /B12I8SCN_TyrPro_1_ B12I8SCN_TypPro_020,6 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4127.35906372; Eh | |||
 | 1-Oct-2024 | /B12I8SCN_TyrPro_1_ B12I8SCN_TypPro_147,0 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4127.30879808; Eh | |||
 | 1-Oct-2024 | /B12I8SCN_TyrPro_1_ B12I8SCN_TypPro_012,3 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4127.36267337; Eh | |||
 | 1-Oct-2024 | /B12I8SCN_TyrPro_1_ B12I8SCN_TypPro_015,4 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4127.36132139; Eh | |||
 | 1-Oct-2024 | /B12I8SCN_TyrPro_1_ B12I8SCN_TypPro_107,7 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4127.32406081; Eh | |||
 | 1-Oct-2024 | /B12I8SCN_TyrPro_1_ B12I8SCN_TypPro_031,7 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4127.35492707; Eh |
Results 41-49 of 49 (Search time: 0.001 seconds).
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Subject
- 49 Boron
- 49 Mass spectrometry
- 49 Peptides
Program name
- 49 Gaussian
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- 49 RB3LYP