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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Feb-2023 | /base-driven_skeletal_rearrangements_/anion14 14_anion_A | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -653.741017024; Eh | |||
 | 13-Feb-2023 | /base-driven_skeletal_rearrangements_/anion14 14_anion_B | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -653.742912744; Eh | |||
 | 13-Feb-2023 | /base-driven_skeletal_rearrangements_/anion14 14_anion_C | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -653.749053812; Eh | |||
 | 13-Feb-2023 | /base-driven_skeletal_rearrangements_/anion14 14_anion_D | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -653.736090134; Eh | |||
 | 13-Feb-2023 | /base-driven_skeletal_rearrangements_/anion14 14_anion_E | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -653.764605444; Eh | |||
 | 13-Feb-2023 | /base-driven_skeletal_rearrangements_/anion14 14_anion_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBE1PBE | DEF2SVP | -653.732039242; Eh | |||
 | 13-Feb-2023 | /base-driven_skeletal_rearrangements_/anion14 14_anion_TS2 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBE1PBE | DEF2SVP | -653.738970276; Eh | |||
 | 13-Feb-2023 | /base-driven_skeletal_rearrangements_/anion14 14_anion_TS3 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBE1PBE | DEF2SVP | -653.727147912; Eh | |||
 | 13-Feb-2023 | /base-driven_skeletal_rearrangements_/anion14 14_anion_TS4 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBE1PBE | DEF2SVP | -653.702217633; Eh | |||
 | 13-Feb-2023 | /base-driven_skeletal_rearrangements_/anion35 35_anion_A_a | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -1282.31544109; Eh |
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