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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
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 | ||||
6-Aug-2022 | /intermediates Na3-HMDS3-disp-f-prod | Mu, Manting | Gaussian; 09; AM64L-G09RevA.02 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2961.10050710; Eh | ||||
6-Aug-2022 | /intermediates Na2-1ben | Mu, Manting | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2303.35362248; Eh | ||||
8-Apr-2024 | /figureS2 12TS2EnoHTMP | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) 6-31+G(D,P) GEN | -1530.68352648; Eh | ||||
8-Apr-2024 | /figure_1 1I1LiE | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) 6-31+G(D,P) GEN | -1463.48273706; Eh | ||||
8-Apr-2024 | /figureS1 1I4Z | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) 6-31+G(D,P) GEN | -1618.21864992; Eh | ||||
8-Apr-2024 | /figureS3 12I2Z | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) 6-31+G(D,P) GEN | -1515.75048948; Eh | ||||
8-Apr-2024 | /figure_1 1I2E | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) 6-31+G(D,P) GEN | -1618.22596969; Eh | ||||
8-Apr-2024 | /figureS1 1TS2Z | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) 6-31+G(D,P) GEN | -1618.19906899; Eh | ||||
8-Apr-2024 | /figureS2 12I2E | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) 6-31+G(D,P) GEN | -1515.75250574; Eh |
Results 91-100 of 132 (Search time: 0.001 seconds).