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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 14-Jun-2021 | /Parent A1_gas | Haack, Alexander | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; RCCSD | 6-311++G(D,P) | -466.6367864; Eh | |||
 | 14-Jun-2021 | /Parent A2_gas | Haack, Alexander | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; RCCSD | 6-311++G(D,P) | -466.635344; Eh | |||
 | 14-Jun-2021 | /Parent A3_solv | Haack, Alexander | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; RCCSD | 6-311++G(D,P) | -695.6379986; Eh | |||
 | 14-Jun-2021 | /Parent A4_solv | Haack, Alexander | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; RCCSD | 6-311++G(D,P) | -695.6371606; Eh | |||
 | 14-Jun-2021 | /Parent A2_solv | Haack, Alexander | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; RCCSD | 6-311++G(D,P) | -695.640975; Eh | |||
 | 14-Jun-2021 | /Fragments NH3 | Haack, Alexander | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; RCCSD | 6-311++G(D,P) | -56.4346743; Eh | |||
 | 14-Jun-2021 | /Fragments HCN | Haack, Alexander | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; RCCSD | 6-311++G(D,P) | -93.2228191; Eh |
Results 11-17 of 17 (Search time: 0.001 seconds).