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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-May-2021 | /DFT/HS/STAGGERED Cr(1-Me_ind)2_STAG_hs | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -1817.91710399; Eh | |||
 | 18-May-2021 | /DFT/HS/STAGGERED Cr(ind)2_STAG_hs | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -1739.23935260; Eh | |||
 | 18-May-2021 | /DFT/HS/STAGGERED Cr(7-Me_ind)2_STAG_hs | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -1817.91792166; Eh | |||
 | 18-May-2021 | /DFT/HS/STAGGERED Cr(6-Me_ind)2_STAG_hs | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -1817.91374742; Eh | |||
 | 18-May-2021 | /DFT/HS/ECLIPSED Cr(1,3-Me_ind)2_EC_hs | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -1896.59517995; Eh | |||
 | 18-May-2021 | /DFT/HS/ECLIPSED Cr(4,7-Me_ind)2_EC_hs | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -1896.59975162; Eh | |||
 | 18-May-2021 | /DFT/HS/ECLIPSED Cr(7-Me_ind)2_EC_hs | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -1817.91989135; Eh | |||
 | 18-May-2021 | /DFT/HS/ECLIPSED Cr(1-Me_ind)2_EC_hs | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -1817.91817442; Eh | |||
 | 20-Jul-2022 | /DFT/R1=OEt/L2=NCSe/R2=OH LS_para_OH_substituted | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UTPSSh | DEF2TZVP GEN | -9908.91139934; Eh | |||
| 20-Jul-2022 | /DFT/R1=OEt/L2=NCSe/R2=Cl HS_para_Cl_substituted | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP GEN | -11062.0150176; Eh |
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