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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Jul-2024 | /Single-Points ¹E | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2TZVPP | -2782.4670052; Eh | |||
 | 15-Jul-2024 | /Single-Points ³C_(Td) | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UB3LYP | DEF2TZVPP | -3010.7942643; Eh | |||
 | 15-Jul-2024 | /Single-Points ¹C_(Td) | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UB3LYP | DEF2TZVPP | -3010.8009245; Eh | |||
 | 15-Jul-2024 | /Single-Points ¹CTHF | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2TZVPP | -3243.3874994; Eh | |||
 | 15-Jul-2024 | /Single-Points ¹C | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2TZVPP | -3010.8085967; Eh | |||
 | 15-Jul-2024 | /Single-Points ²D | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UB3LYP | DEF2TZVPP | -2550.4986398; Eh | |||
 | 15-Jul-2024 | /Single-Points TS1 | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2TZVPP | -3010.7381468; Eh | |||
 | 15-Jul-2024 | /Single-Points ¹B | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2TZVPP | -3010.7430038; Eh | |||
 | 15-Jul-2024 | /Single-Points ¹Ni(COD)₂ | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2TZVPP | -2132.8370997; Eh | |||
 | 15-Jul-2024 | /Single-Points ¹A | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2TZVPP | -2630.9534426; Eh |
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