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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Nov-2022 | /enamine/DCM TS2c_concerted_DCM | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM062X | 6-31G(D) | -1885.60307781; Eh | |||
 | 1-Jul-2022 | THF | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM062X | 6-31G** 6-31+G* GEN | -232.354615349; Eh | |||
 | 2-Jan-2023 | /L1 S2_L1_HS_FREQ | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UBLYP | DEF2TZVP | -2434.03902226; Eh | |||
 | 18-May-2021 | /ECLIPSED Cr(1,2,3-Me_ind)2_EC_ls | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UTPSSh | DEF2TZVP | -1975.27537003; Eh | |||
 | 18-May-2021 | /ECLIPSED Cr(2,4,7-Me_ind)2_EC_ls | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UTPSSh | DEF2TZVP | -1975.28091762; Eh | |||
 | 18-May-2021 | /STAGGERED Cr(2,4,7-Me_ind)2_STAG_ls | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UTPSSh | DEF2TZVP | -1975.28076608; Eh | |||
 | 18-May-2021 | /ECLIPSED Cr(6-Me_ind)2_EC_ls | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UTPSSh | DEF2TZVP | -1817.91855069; Eh | |||
 | 18-May-2021 | /STAGGERED Cr(1,3-Me_ind)2_STAG_ls | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UTPSSh | DEF2TZVP | -1896.59674013; Eh | |||
 | 18-May-2021 | /STAGGERED Cr(1-Me_ind)2_STAG_ls | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UTPSSh | DEF2TZVP | -1817.91756366; Eh | |||
 | 18-May-2021 | /DFT/HS/ECLIPSED Cr(2,4,5,6,7-Me_ind)2_EC_hs | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UTPSSh | DEF2TZVP | -2132.61547579; Eh |
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