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. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 18-May-2024 | /electro-Sn/Fe1Mn4/S0 S0-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10264.6446122; Eh | |||
![]() | 18-May-2024 | /electro-Sn/Fe0Mn5/S4 S4-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10151.2513617; Eh | |||
![]() | 18-May-2024 | /electro-Sn/Fe0Mn5/S3 S3-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10151.4453756; Eh | |||
![]() | 18-May-2024 | /electro-Sn/Fe3Mn2/S3-3H S3-3H-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10489.5662653; Eh | |||
![]() | 18-May-2024 | /electro-Sn/Fe3Mn2/S3-3I S3-3I-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10489.530937; Eh | |||
![]() | 18-May-2024 | /electro-Sn/Fe3Mn2/S2-3E S2-3E-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10489.7235293; Eh | |||
![]() | 18-May-2024 | /electro-Sn/Fe3Mn2/S2-3F S2-3F-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10489.721546; Eh | |||
![]() | 18-May-2024 | /electro-Sn/Fe3Mn2/S2-3G S2-3G-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10489.6900638; Eh | |||
![]() | 18-May-2024 | /water-insertion/Fe2Mn3/S3H/TBP TBP-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP DEF2SVP GEN | -10447.5110715; Eh | |||
![]() | 18-May-2024 | /water-insertion/Fe2Mn3/S3H/TS1 TS1-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Minimum | UTPSSh | DEF2TZVP DEF2SVP GEN | -10447.4980958; Eh |
Results 41-50 of 176 (Search time: 0.001 seconds).
Discover
Program name
- 176 Gaussian
Calculation type