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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Dec-2023 | TCEP-NADP_Final_Adduct_ | Mai, Timothy | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RB3LYP | GEN | -2173.08914915; Eh | |||
 | 5-Dec-2023 | TCEP_opt+freq | Mai, Timothy | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RB3LYP | GEN | -1221.14407683; Eh | |||
 | 5-Dec-2023 | TCEP-NADP_TS_Adduct_opt | Mai, Timothy | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RB3LYP | GEN | -2173.07620625; Eh | |||
 | 5-Dec-2023 | TCEP-NADP_TS_Adduct_freq | Mai, Timothy | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RB3LYP | GEN | -2173.07620625; Eh | |||
 | 5-Dec-2023 | TCEP-NADP_TS_Adduct_BSSE_ | Mai, Timothy | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RB3LYP | GEN | -951.8007612; Eh | |||
 | 5-Dec-2023 | TCEP-NADP_Adduct_BSSE | Mai, Timothy | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RB3LYP | GEN | -951.7601253; Eh | |||
 | 5-Dec-2023 | AKG-NADP_Adduct_ | Mai, Timothy | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RB3LYP | GEN | -1520.91722561; Eh | |||
 | 5-Dec-2023 | NADP_opt+freq | Mai, Timothy | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RB3LYP | GEN | -951.924881879; Eh |
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