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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
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 IM4_singlet | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UPBE1PBE | DEF2SVP | -2324.34795450; 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 | ||||
22-Aug-2022 | /Me/singlet IM9_singlet | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -2324.42271724; Eh | ||||
22-Aug-2022 | /Me/singlet IM1_singlet | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -2781.76837338; Eh | ||||
22-Aug-2022 | /Me/singlet Maleimide | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -437.274002225; Eh | ||||
22-Aug-2022 | /Me/singlet substrate | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -553.738799773; Eh | ||||
22-Aug-2022 | /Me/singlet AcOH | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -228.675849164; Eh |
Results 31-40 of 342 (Search time: 0.002 seconds).
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- 213 Palladium
- 188 Olefination
- 69 C-C activation
- 56 Arynes
- 56 DFT
- 56 Homogeneous catalysis
- 52 Rhodium
- 37 alkylation
- 37 Copper
- 37 isoquinolone
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