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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
20-Jul-2022 | /Bach_iPr_system Bach_iPr_trans_lactone | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | GENECP | -4320.15938303; Eh | ||||
20-Jul-2022 | /Bach_eth_system Bach_eth_cis_lactone | Guo, Wentao | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | GENECP | -4280.84064246; Eh | ||||
20-Jul-2022 | /Bach_eth_system Bach_eth_fragmentation | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | 6-31G(D) LANL2DZ GENECP | -4280.81033971; Eh | ||||
20-Jul-2022 | /Bach_eth_system Bach_eth_trans_lactone | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | GENECP | -4280.84268342; Eh | ||||
20-Jul-2022 | /Bach_eth_system Bach_eth_SM | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | GENECP | -4280.77919553; Eh | ||||
20-Jul-2022 | /fDavies_Ph fDavies_Ph_fragmentation | Guo, Wentao | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RB3LYP | GENECP | -14577.9156360; Eh | ||||
20-Jul-2022 | /fDavies_Ph fDavies_Ph_cis_lactone | Guo, Wentao | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RB3LYP | GENECP | -14577.9435546; Eh | ||||
20-Jul-2022 | /Rh2(s-TCPTTL)4 rh2stcpttl4_aabb | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | GENECP | -11163.2331822; Eh | ||||
20-Jul-2022 | /Rh2(s-TCPTTL)4 rh2stcpttl4_aaab | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | GENECP | -11163.2330458; Eh | ||||
20-Jul-2022 | /Rh2(s-TCPTTL)4 rh2stcpttl4_aaaa | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | GENECP | -11163.2511410; Eh |
Results 1-10 of 10 (Search time: 0.002 seconds).