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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Feb-2023 | /homoconjugation CS-36 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVPP | -349.323644983; Eh | |||
 | 13-Feb-2023 | /homoconjugation CS-35 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVPP | -387.931896781; Eh | |||
 | 13-Feb-2023 | /homoconjugation CS-17 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVPP | -461.383315088; Eh | |||
 | 13-Feb-2023 | /homoconjugation CS-28 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVPP | -461.375074862; Eh | |||
 | 13-Feb-2023 | /homoconjugation CS-7 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVPP | -497.837284377; Eh | |||
 | 13-Feb-2023 | /homoconjugation CS-29 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVPP | -461.915395670; Eh | |||
 | 13-Feb-2023 | /neutral_H 9 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -654.275608236; Eh | |||
 | 13-Feb-2023 | /neutral_H 14 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -654.275538110; Eh | |||
 | 13-Feb-2023 | /neutral_H 20 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -654.270923761; Eh | |||
 | 13-Feb-2023 | /neutral_H 21 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -654.270634705; Eh |
Results 141-150 of 170 (Search time: 0.001 seconds).