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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 THF• | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UB3LYP | DEF2TZVPP | -231.9098938; Eh | |||
 | 15-Jul-2024 | /Single-Points Ph• | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UB3LYP | DEF2TZVPP | -231.6754126; Eh | |||
 | 15-Jul-2024 | /Single-Points THF•ᐧᐧᐧHCl | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UB3LYP | DEF2TZVPP | -692.7620511; Eh | |||
 | 15-Jul-2024 | /Single-Points Br• | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UB3LYP | DEF2TZVPP | -2574.1448539; Eh | |||
 | 15-Jul-2024 | /Single-Points THF•ᐧᐧᐧHBr | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UB3LYP | DEF2TZVPP | -2806.7151705; Eh | |||
 | 15-Jul-2024 | /Single-Points I•ᐧᐧᐧTHF | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UB3LYP | DEF2TZVPP | -530.3581269; Eh | |||
 | 15-Jul-2024 | /Single-Points Br•ᐧᐧᐧTHF | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UB3LYP | DEF2TZVPP | -2806.7334697; Eh | |||
 | 15-Jul-2024 | /Single-Points I• | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UB3LYP | DEF2TZVPP | -297.780098; Eh | |||
 | 15-Jul-2024 | /Single-Points Cl•ᐧᐧᐧ(THF)₃ | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UB3LYP | DEF2TZVPP | -1157.9138457; Eh | |||
 | 15-Jul-2024 | /Single-Points Cl•ᐧᐧᐧ(THF)₂ | Sharma, Akhilesh Kumar | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UB3LYP | DEF2TZVPP | -925.3396047; Eh |
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- 748 Reaction mechanisms
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- 684 Homogeneous catalysis
- 529 Copper
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- 327 Photocatalysis
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- 310 C-H activation
- 294 Imine Condensation
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