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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Apr-2019 | P12_P109_OH33 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31g(d,p); 6-31+g(d,p) | -1947.27499734; Eh | |||
 | 24-Apr-2019 | P12_P109_OH41 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31g(d,p); 6-31+g(d,p) | -1947.33547462; Eh | |||
 | 24-Apr-2019 | P12_P109_OOH-25 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UwB97XD | 6-31g(d,p); 6-31+g(d,p) | -2022.55316763; Eh | |||
 | 24-Apr-2019 | P12_P109_OOH-28 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UwB97XD | 6-31g(d,p); 6-31+g(d,p) | -2022.54811000; Eh | |||
 | 24-Apr-2019 | P12_P109_OOH-24 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UwB97XD | 6-31g(d,p); 6-31+g(d,p) | -2022.53824328; Eh | |||
 | 24-Apr-2019 | P12_P109_OOH-52 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UwB97XD | 6-31g(d,p); 6-31+g(d,p) | -2022.51609577; Eh | |||
 | 24-Apr-2019 | P12_P109_OOH-53 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UwB97XD | 6-31g(d,p); 6-31+g(d,p) | -2022.53934930; Eh | |||
 | 24-Apr-2019 | G32_G89_OOH33 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31g(d,p); 6-31+g(d,p) | -2023.57618932; Eh | |||
 | 24-Apr-2019 | G32_G89_OOH16 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31g(d,p); 6-31+g(d,p) | -2023.57750723; Eh | |||
 | 24-Apr-2019 | G32_G89_OOH25 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31g(d,p); 6-31+g(d,p) | -2023.56207806; Eh |
Results 91-100 of 170 (Search time: 0.001 seconds).