Search
Add filters:
Use filters to refine the search results.
Item hits:
| 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_265,6 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3938.83465954; Eh | |||
 | 1-Oct-2024 | /B12I8SCN_LeuPro_1_ B12I8SCN_LeuPro_368,1 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3938.79580154; Eh | |||
 | 1-Oct-2024 | /B12I8SCN_LeuPro_1_ B12I8SCN_LeuPro_129,9 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3938.88701451; Eh | |||
 | 1-Oct-2024 | /B12I8SCN_LeuPro_1_ B12I8SCN_LeuPro_088,5 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3938.90387396; Eh | |||
 | 1-Oct-2024 | /B12I8SCN_LeuPro_1_ B12I8SCN_LeuPro_124,5 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3938.88908555; Eh | |||
 | 1-Oct-2024 | /B12I8SCN_LeuPro_1_ B12I8SCN_LeuPro_123,7 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3938.89123668; Eh | |||
 | 1-Oct-2024 | /B12I8SCN_LeuPro_1_ B12I8SCN_LeuPro_071,2 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3938.91120476; Eh | |||
 | 1-Oct-2024 | /B12I8SCN_LeuPro_1_ B12I8SCN_LeuPro_053,9 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3938.91313918; Eh | |||
 | 1-Oct-2024 | /B12I8SCN_LeuPro_1_ B12I8SCN_LeuPro_027,7 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3938.92536766; Eh | |||
 | 1-Oct-2024 | /B12I8SCN_LeuPro_1_ B12I8SCN_LeuPro_058,5 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3938.91330844; Eh |
Results 1-10 of 49 (Search time: 0.002 seconds).
Discover
Subject
- 49 Boron
- 49 Mass spectrometry
- 49 Peptides
Program name
- 49 Gaussian
Calculation type
Method
- 49 RB3LYP