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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 14-Jun-2024 | 2-endo-water | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31+G(D,P) | -989.036433596; Eh | |||
| 14-Jun-2024 | 1-endo-water | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31+G(D,P) | -949.729845398; Eh | |||
| 14-Jun-2024 | 1-cis-water | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31+G(D,P) | -949.728746249; Eh | |||
| 14-Jun-2024 | 1-exo-water | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31+G(D,P) | -949.729319380; Eh | |||
| 14-Jun-2024 | 1-cis-endo | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31+G(D,P) | -949.703477724; Eh | |||
| 14-Jun-2024 | 1-exo | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31+G(D,P) | -949.707819858; Eh | |||
| 14-Jun-2024 | /631Gd/M062X A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D) | -347.869444718; Eh | |||
| 14-Jun-2024 | /631Gd/M062X B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D) | -347.870637836; Eh | |||
| 14-Jun-2024 | /631Gd/M062X B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D) | -347.870637836; Eh | |||
| 14-Jun-2024 | /def2SVP/M062X A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -347.610461792; Eh |
Results 661-670 of 670 (Search time: 0.002 seconds).