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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 20-Jan-2021 | Vertine | Semenov, Valentin | Gaussian; 09; IA32W-G09RevA.02 | Geometry optimization Minimum | RM062X | CC-PVTZ AUG-CC-PVTZ GEN | -1439.04368316; Eh | |||
![]() | 20-Jan-2021 | Domesticulide_B | Semenov, Valentin | Gaussian; 09; IA32W-G09RevA.02 | Geometry optimization Minimum | RM062X | CC-PVQZ AUG-CC-PVQZ GEN | -1803.83653867; Eh | |||
![]() | 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 | |||
![]() | 22-Mar-2020 | /M062X_BS1_optimized_structures m062_pha | G. Algarra, Andrés | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) GEN | -308.259205547; Eh | |||
![]() | 22-Mar-2020 | /M062X_BS1_optimized_structures m062_cluster | G. Algarra, Andrés | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) SDDALL GEN | -2432.93926043; Eh | |||
![]() | 22-Mar-2020 | /M062X_BS1_optimized_structures ga_m062x_dmadprod | G. Algarra, Andrés | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) SDDALL GEN | -2965.84133836; Eh |
Results 21-30 of 670 (Search time: 0.002 seconds).