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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 14-Jun-2024 | /def2SVP/M06L A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM06L | DEF2SVP | -347.731675840; Eh | |||
![]() | 14-Jun-2024 | /631Gd/M06L A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM06L | 6-31G(D) | -347.979973402; Eh | |||
![]() | 14-Jun-2024 | /631Gd/M06L B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM06L | 6-31G(D) | -347.989098090; Eh |
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- 1 TD-FC