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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
20-Jul-2022 | /fDavies_Ph fDavies_Ph_TT_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Minimum | RB3LYP | GENECP | -14577.8622587; Eh | ||||
20-Jul-2022 | /fDavies_Ph fDavies_Ph_TA_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Minimum | RB3LYP | GENECP | -14577.8430934; Eh | ||||
20-Jul-2022 | /fDavies_Ph fDavies_Ph_SM | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | GENECP | -14577.8882695; Eh | ||||
20-Jul-2022 | /TA_TT_energy_study Bach_iPr_TT_TS1_SiH3 | Guo, Wentao | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization TS | RB3LYP | GENECP | -2039.96302181; Eh | ||||
20-Jul-2022 | /TA_TT_energy_study Bach_iPr_TT_TS1_Me | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | GENECP | -1788.59038386; Eh | ||||
20-Jul-2022 | /TA_TT_energy_study Bach_iPr_TT_TS1_I | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | GENECP | -1760.04747621; 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_aaaa | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | GENECP | -11163.2511410; 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 | ||||
9-Jan-2024 | /Rh2(s-dosp)4_system dosp_TS0_aabb2_cis | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | GENECP | -5625.18364187; Eh |
Results 61-70 of 161 (Search time: 0.001 seconds).
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Subject
- 149 Rhodium
- 92 C-C activation
- 57 Carbenes
- 57 Lactones
- 12 Olefination
- 12 Palladium
Method
- 12 RMN15