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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Oct-2020 | compound-4-prime | Jamieson, Cooper | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D) | -1479.44324062; Eh | |||
 | 22-Oct-2020 | compound-4 | Jamieson, Cooper | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D) | -1479.44907551; Eh | |||
 | 22-Oct-2020 | TS-1-prime | Jamieson, Cooper | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | 6-31G(D) | -1479.35671650; Eh | |||
 | 22-Oct-2020 | TS-1 | Jamieson, Cooper | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | 6-31G(D) | -1479.36208495; Eh | |||
 | 24-Apr-2019 | H2O | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31+g(d,p); 6-31g(d,p) | -76.4231761204; Eh | |||
 | 24-Apr-2019 | Graphene | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31g(d,p) | -1839.59583044; Eh | |||
 | 24-Apr-2019 | G32_P109_OOH-108 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31g(d,p); 6-31+g(d,p) | -2023.17374151; Eh | |||
 | 24-Apr-2019 | G32_P109_OOH-104 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31g(d,p); 6-31+g(d,p) | -2023.13479229; Eh | |||
 | 24-Apr-2019 | G32_P109_OOH-105 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31g(d,p); 6-31+g(d,p) | -2023.12938299; Eh | |||
 | 24-Apr-2019 | G32_P109_OOH-12 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31g(d,p); 6-31+g(d,p) | -2023.12590900; Eh |
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