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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Jan-2024 | /C418-3 C418_3-opt-freq-conf-18 | Ross, Alicia | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; RmPW1PW91 | 6-31+G(D,P) 6-311+G(2D,P) | -1378.9064303; Eh | |||
| 18-Jan-2024 | /C418-4 C418_4-opt-freq-conf-50 | Ross, Alicia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | 6-31+G(D,P) | -1379.01400129; Eh | |||
| 18-Jan-2024 | /C418-4 C418_4-opt-freq-conf-107 | Ross, Alicia | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | 6-31+G(D,P) | -1379.01478246; Eh | |||
| 18-Jan-2024 | /C418-4 C418_4-opt-freq-conf-111 | Ross, Alicia | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | 6-31+G(D,P) | -1379.01571936; Eh | |||
| 18-Jan-2024 | /C418-4 C418_4-opt-freq-conf-91 | Ross, Alicia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | 6-31+G(D,P) | -1379.01478217; Eh | |||
| 18-Jan-2024 | /C418-4 C418_4-opt-freq-conf-70 | Ross, Alicia | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | 6-31+G(D,P) | -1379.01418822; Eh | |||
| 18-Jan-2024 | /C418-4 C418_4-opt-freq-conf-43 | Ross, Alicia | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | 6-31+G(D,P) | -1379.01556403; Eh | |||
| 18-Jan-2024 | /C418-4 C418_4-opt-freq-conf-171 | Ross, Alicia | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | 6-31+G(D,P) | -1379.01356870; Eh | |||
| 18-Jan-2024 | /C418-4 C418_4-opt-freq-conf-60 | Ross, Alicia | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | 6-31+G(D,P) | -1379.01450881; Eh |
Results 91-99 of 99 (Search time: 0.001 seconds).