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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2022 | /reactant Co-2HMDSb | Mu, Manting | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN | -1891.58433869; Eh | |||
 | 6-Aug-2022 | /reactant NaHMDS-2ben | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -1499.92802097; Eh | |||
 | 6-Aug-2022 | /reactant Na2 | Mu, Manting | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2071.15460282; Eh | |||
 | 22-Aug-2022 | /products CoNa2-prod-FH1-4cis-dispbb | Mu, Manting | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -3447.71999872; Eh | |||
 | 22-Aug-2022 | /products CoNa2-prod-FH1-2cis2transb | Mu, Manting | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | - | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) | -3447.73210023; Eh | |||
 | 6-Aug-2022 | /products CoNa2-prod-noBenbb-reBen2-tight-disp-F-reopt | Mu, Manting | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN | -3844.59621195; Eh | |||
 | 6-Aug-2022 | /intermediates NaCo-3HMDS-C6F5Hb-disp-b2-reopt | Mu, Manting | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -3655.43445724; Eh | |||
 | 6-Aug-2022 | /intermediates NaCoHMDS-prod-tC6F5-mono | Mu, Manting | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2781.56404375; Eh | |||
 | 6-Aug-2022 | /intermediates NaCo-Int-2brC6F5-HMDS-new | Mu, Manting | Gaussian; 09; AM64L-G09RevA.02 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2635.87850234; Eh | |||
 | 6-Aug-2022 | /intermediates Na3-HMDS3-disp-f-prod-2C6F5 | Mu, Manting | Gaussian; 09; AM64L-G09RevA.02 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2815.43760846; Eh |
Results 11-20 of 33 (Search time: 0.001 seconds).