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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
20-Jan-2021 | Bielschowskysin | Semenov, Valentin | Gaussian; 09; IA32W-G09RevA.02 | Geometry optimization Minimum | RM062X | CC-PVTZ AUG-CC-PVTZ GEN | -1531.00632219; Eh | ||||
20-Jan-2021 | Oxojatrophadiene | Semenov, Valentin | Gaussian; 09; IA32W-G09RevA.02 | Geometry optimization Minimum | RM062X | CC-PVQZ AUG-CC-PVQZ GEN | -2415.67970973; Eh | ||||
20-Jan-2021 | Lobatin_B | Semenov, Valentin | Gaussian; 09; IA32W-G09RevA.02 | Geometry optimization Minimum | RM062X | CC-PVQZ AUG-CC-PVQZ GEN | -1303.18697609; Eh | ||||
20-Jan-2021 | Neoquassin_ether | Semenov, Valentin | Gaussian; 09; IA32W-G09RevA.02 | Geometry optimization Minimum | RM062X | CC-PVTZ AUG-CC-PVTZ GEN | -2538.93119220; Eh | ||||
20-Jan-2021 | Quinine | Semenov, Valentin | Gaussian; 09; IA32W-G09RevA.02 | Geometry optimization Minimum | RM062X | CC-PVQZ AUG-CC-PVQZ GEN | -1036.51136628; Eh |
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