Allison C. Fox Dataverse

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Data for Fox et al., The role of the CuCl active complex in the stereoselectivity of the salt-induced peptide formation reaction: insights from density functional theory calculations. Jan 17, 2023 Fox, Allison, 2023, "Data for Fox et al., The role of the CuCl active complex in the stereoselectivity of the salt-induced peptide formation reaction: insights from density functional theory calculations.", https://doi.org/10.7910/DVN/AW36KS, Harvard Dataverse, V1 These data are presented in, "The role of the CuCl active complex in the stereoselectivity of the salt-induced peptide formation reaction: insights from density functional theory calculations" by Fox et al. Model results are given as .log files and follow the naming convention of amino acid_chirality_charge_CuCl_hydration_run number.
ala_RR_Cis_Neu_CuCl_2.log Jan 17, 2023 - Data for Fox et al., The role of the CuCl active complex in the stereoselectivity of the salt-induced peptide formation reaction: insights from density functional theory calculations. Plain Text - 851.6 KB - MD5: 5663d8703951abdb0a5c4e301fccb7f3 AlanineNeutral
ala_RR_Cis_Neu_CuCl_3.log Jan 17, 2023 - Data for Fox et al., The role of the CuCl active complex in the stereoselectivity of the salt-induced peptide formation reaction: insights from density functional theory calculations. Plain Text - 3.5 MB - MD5: 48932d922f189bdd29c6388879e5d8ed
ala_RR_Cis_Neu_CuCl_H2O.log Jan 17, 2023 - Data for Fox et al., The role of the CuCl active complex in the stereoselectivity of the salt-induced peptide formation reaction: insights from density functional theory calculations. Plain Text - 1.7 MB - MD5: 9e55bdbed9874650972e33baefdf9e1f
ala_RR_Cis_Neu_CuCl.log Jan 17, 2023 - Data for Fox et al., The role of the CuCl active complex in the stereoselectivity of the salt-induced peptide formation reaction: insights from density functional theory calculations. Plain Text - 975.4 KB - MD5: 5442af1b44429e36cca9f8c3773d22bb
ala_RR_Cis_Neu_CuCl_noPCM.log Jan 17, 2023 - Data for Fox et al., The role of the CuCl active complex in the stereoselectivity of the salt-induced peptide formation reaction: insights from density functional theory calculations. Plain Text - 1.8 MB - MD5: 242d822577a009909ac4dadc77100a13
Ala_RR_H_Neu_Pro_CuCl_H2O_6311.log Jan 17, 2023 - Data for Fox et al., The role of the CuCl active complex in the stereoselectivity of the salt-induced peptide formation reaction: insights from density functional theory calculations. Plain Text - 643.3 KB - MD5: f2e3d691a5adb00283b9ce0458ce57bb
ala_RR_Trans_Neu_CuCl_2.log Jan 17, 2023 - Data for Fox et al., The role of the CuCl active complex in the stereoselectivity of the salt-induced peptide formation reaction: insights from density functional theory calculations. Plain Text - 1.5 MB - MD5: e352b260ab5c107602d079196777b0d9
ala_RR_Trans_Neu_CuCl_3.log Jan 17, 2023 - Data for Fox et al., The role of the CuCl active complex in the stereoselectivity of the salt-induced peptide formation reaction: insights from density functional theory calculations. Plain Text - 1.2 MB - MD5: 4ceacc37372846f654f7b61931373869
ala_RR_Trans_Neu_CuCl_H2O.log Jan 17, 2023 - Data for Fox et al., The role of the CuCl active complex in the stereoselectivity of the salt-induced peptide formation reaction: insights from density functional theory calculations. Plain Text - 1.4 MB - MD5: 079b1718488496be0022be957c097155

Data for Fox et al., The role of the CuCl active complex in the stereoselectivity of the salt-induced peptide formation reaction: insights from density functional theory calculations.

Jan 17, 2023

Fox, Allison, 2023, "Data for Fox et al., The role of the CuCl active complex in the stereoselectivity of the salt-induced peptide formation reaction: insights from density functional theory calculations.", https://doi.org/10.7910/DVN/AW36KS, Harvard Dataverse, V1

These data are presented in, "The role of the CuCl active complex in the stereoselectivity of the salt-induced peptide formation reaction: insights from density functional theory calculations" by Fox et al. Model results are given as .log files and follow the naming convention of amino acid_chirality_charge_CuCl_hydration_run number.

ala_RR_Cis_Neu_CuCl_2.log

Jan 17, 2023 - Data for Fox et al., The role of the CuCl active complex in the stereoselectivity of the salt-induced peptide formation reaction: insights from density functional theory calculations.

Plain Text - 851.6 KB -

AlanineNeutral

ala_RR_Cis_Neu_CuCl_3.log

Jan 17, 2023 - Data for Fox et al., The role of the CuCl active complex in the stereoselectivity of the salt-induced peptide formation reaction: insights from density functional theory calculations.

Plain Text - 3.5 MB -

ala_RR_Cis_Neu_CuCl_H2O.log

Jan 17, 2023 - Data for Fox et al., The role of the CuCl active complex in the stereoselectivity of the salt-induced peptide formation reaction: insights from density functional theory calculations.

Plain Text - 1.7 MB -

ala_RR_Cis_Neu_CuCl.log

Jan 17, 2023 - Data for Fox et al., The role of the CuCl active complex in the stereoselectivity of the salt-induced peptide formation reaction: insights from density functional theory calculations.