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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Aug-2023 | disfavored_reactant | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31+G(D,P) | -891.744137420; Eh | |||
 | 30-Aug-2023 | favored_reactant | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31+G(D,P) | -891.746715851; Eh | |||
 | 30-Aug-2023 | favored_TS | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -891.720027549; Eh | |||
 | 30-Aug-2023 | disfavored_regioisomeric_TS | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -891.667320855; Eh | |||
 | 30-Aug-2023 | epimer_of_disfavored_TS | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -891.712635763; Eh | |||
 | 30-Aug-2023 | epimer_of_favored_TS | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -891.718865802; Eh | |||
 | 30-Aug-2023 | disfavored_TS | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -891.713827400; Eh | |||
 | 4-Sep-2023 | protected_disfavored_reactant | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31+G(D,P) | -1311.22608071; Eh | |||
 | 4-Sep-2023 | protected_favored_TS | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31+G(D,P) | -1311.20062830; Eh | |||
 | 4-Sep-2023 | protected_favored_reactant | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31+G(D,P) | -1311.23218561; Eh |
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