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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Apr-2024 | ts-III-IVprime | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UM06 | DEF2SVPP | -6257.1743514; Eh | |||
 | 18-Apr-2024 | ts-III-IV | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UM06 | DEF2SVPP | -2823.252301; Eh | |||
 | 18-Apr-2024 | IVprime | Kiriakidi, Sofia | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | DEF2SVPP | -6257.2658392; Eh | |||
 | 18-Apr-2024 | II | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM06 | DEF2SVPP | -4940.9494074; Eh | |||
 | 18-Apr-2024 | DIPEAH | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UM06 | DEF2SVPP | -410.1168887; Eh | |||
 | 18-Apr-2024 | 1a | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UM06 | DEF2SVPP | -3130.2531008; Eh | |||
 | 18-Apr-2024 | DIPEA | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UM06 | DEF2SVPP | -409.6701193; Eh | |||
 | 18-Apr-2024 | IIIprime | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UM06 | DEF2SVPP | -6257.1840573; Eh | |||
 | 18-Apr-2024 | Iprime | Kiriakidi, Sofia | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | DEF2SVPP | -4446.0775083; Eh | |||
 | 18-Apr-2024 | CO2-AlCl3 | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM06 | DEF2SVPP | -1811.0742145; Eh |
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