Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 28-Nov-2020 | /Complex_(O) Co-O_Complex_(O)_ | Hegner, Franziska Simone | Gaussian; 09; EM64L-G09RevD.01 | Single point Minimum | UTPSSh | DEF2TZVP DEF2SVP GEN | -3651.82179956; Eh | |||
![]() | 28-Nov-2020 | /Complex_(R) Co-OOH_Complex_(R)_ | Hegner, Franziska Simone | Gaussian; 09; EM64L-G09RevD.01 | Single point Minimum | UTPSSh | DEF2TZVP DEF2SVP GEN | -3727.78889657; Eh | |||
![]() | 28-Nov-2020 | /Complex_(R) Co-Cl_Complex_(R)_ | Hegner, Franziska Simone | Gaussian; 09; EM64L-G09RevD.01 | Single point Minimum | UTPSSh | DEF2TZVP DEF2SVP GEN | -4037.03517447; Eh | |||
![]() | 28-Nov-2020 | /Complex_(R) Co-vac_Complex_(R) | Hegner, Franziska Simone | Gaussian; 09; EM64L-G09RevD.01 | Single point Minimum | UTPSSh | DEF2TZVP DEF2SVP GEN | -3576.96975056; Eh | |||
![]() | 28-Nov-2020 | /Complex_(O) Co-vac_Complex_(O) | Hegner, Franziska Simone | Gaussian; 09; EM64L-G09RevD.01 | Single point Minimum | UTPSSh | DEF2TZVP DEF2SVP GEN | -3576.76254615; Eh | |||
![]() | 28-Nov-2020 | /Complex_(R) Co-O_Complex_(R)_ | Hegner, Franziska Simone | Gaussian; 09; EM64L-G09RevD.01 | Single point Minimum | UTPSSh | DEF2TZVP DEF2SVP GEN | -3652.03177356; Eh | |||
![]() | 28-Nov-2020 | /Complex_(O) Co-Cl_Complex_(O)_ | Hegner, Franziska Simone | Gaussian; 09; EM64L-G09RevD.01 | Single point Minimum | UTPSSh | DEF2TZVP DEF2SVP GEN | -4036.82574094; Eh | |||
![]() | 28-Nov-2020 | /Complex_(O) Co-OH_Complex_(O) | Hegner, Franziska Simone | Gaussian; 09; EM64L-G09RevD.01 | Single point Minimum | UTPSSh | DEF2TZVP DEF2SVP GEN | -3652.49479251; Eh | |||
![]() | 6-Nov-2020 | /Cluster-Fe-MOF-74 HSE03-13-OH-freq | Morales, Jordi | Gaussian; 09; EM64L-G09RevD.01 | Single point Minimum | UOHSE2PBE | SDD 6-31G** 6-31+G* GEN | -3081.41083631; Eh | |||
![]() | 6-Nov-2020 | /Cluster-Fe-MOF-74 HSE03-13-O-freq | Morales, Jordi | Gaussian; 09; EM64L-G09RevD.01 | Single point Minimum | UOHSE2PBE | SDD 6-31G** 6-31+G* GEN | -3080.74648537; Eh |
Results 1-10 of 29 (Search time: 0.001 seconds).