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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Aug-2022 | /COOEt/singlet IM10_COOEt_singlet | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -2989.25118067; Eh | |||
 | 22-Aug-2022 | /COOEt/singlet product_COOEt_singlet | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -781.301493335; Eh | |||
 | 22-Aug-2022 | /Me/singlet TS1_singlet | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBE1PBE | DEF2SVP | -2781.76803194; Eh | |||
 | 22-Aug-2022 | /Me/singlet Catalyst_OAc2_singlet | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -2228.00528253; Eh | |||
 | 22-Aug-2022 | /Me/singlet IM5_singlet | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -2761.65490092; Eh | |||
 | 22-Aug-2022 | /Me/singlet IM3_singlet | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -2553.05009825; Eh | |||
 | 22-Aug-2022 | /Me/singlet TS3_singlet | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBE1PBE | DEF2SVP | -2761.64941113; Eh | |||
 | 22-Aug-2022 | /Me/singlet product | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -553.821594303; Eh | |||
 | 22-Aug-2022 | /Me/singlet IM8_singlet | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -2761.72040061; Eh | |||
 | 22-Aug-2022 | /Me/singlet IM2_singlet | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -2553.06535222; Eh |
Results 1-10 of 17 (Search time: 0.001 seconds).