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Please use this identifier to cite or link to this collection: DOI: 10.19061/iochem-bd-1-64

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Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 40
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Feb-2018/SpinOrbit/LaPr/Inv InvGonzález Fabra, JoanADF; 2017Single pointDFTTZP-
thumbnail.jpeg7-Feb-2018/SpinOrbit/LaPr/Exp ExpGonzález Fabra, JoanADF; 2017Single pointDFTTZP-
thumbnail.jpeg7-Feb-2018/SpinOrbit/PrLu/Exp ExpGonzález Fabra, JoanADF; 2017Single pointDFTTZP-
thumbnail.jpeg7-Feb-2018/SpinOrbit/PrLu/Inv InvGonzález Fabra, JoanADF; 2017Single pointDFTTZP-
thumbnail.jpeg7-Feb-2018/SpinOrbit/LaPr_NoLigands/Exp ExpGonzález Fabra, JoanADF; 2017Single pointDFTTZP-
thumbnail.jpeg7-Feb-2018/SpinOrbit/LaPr_NoLigands/Inv InvGonzález Fabra, JoanADF; 2017Single pointDFTTZP-
thumbnail.jpeg7-Feb-2018/SpinOrbit/PrGd_NoLigands/Inv InvGonzález Fabra, JoanADF; 2017Single pointDFTTZP-
thumbnail.jpeg7-Feb-2018/SpinOrbit/PrGd_NoLigands/Exp ExpGonzález Fabra, JoanADF; 2017Single pointDFTTZP-
thumbnail.jpeg7-Feb-2018/SpinOrbit/PrGd/Inv InvGonzález Fabra, JoanADF; 2017Single pointDFTTZP-
thumbnail.jpeg7-Feb-2018/SpinOrbit/PrGd/Exp ExpGonzález Fabra, JoanADF; 2017Single pointDFTTZP-
thumbnail.jpeg7-Feb-2018/SpinOrbit/PrLu_NoLigands/Inv/Mixing MixingGonzález Fabra, JoanADF; 2017Single pointDFTTZP-
thumbnail.jpeg7-Feb-2018/SpinOrbit/PrLu_NoLigands/Exp ExpGonzález Fabra, JoanADF; 2017Single pointDFTTZP-
thumbnail.jpeg7-Feb-2018/B3LYP/LaPr/Exp/Mixing MixingGonzález Fabra, JoanADF; 2017Single pointDFTTZP-
thumbnail.jpeg7-Feb-2018/B3LYP/LaPr/Inv/FAIL FAILGonzález Fabra, JoanADF; 2017Single pointDFTTZP-
thumbnail.jpeg7-Feb-2018/B3LYP/LaPr/Inv InvGonzález Fabra, JoanADF; 2017Single pointDFTTZP-
thumbnail.jpeg7-Feb-2018/B3LYP/PrLu_NoLigands/Exp ExpGonzález Fabra, JoanADF; 2017Single pointDFTTZP-
thumbnail.jpeg7-Feb-2018/B3LYP/PrLu_NoLigands/Inv InvGonzález Fabra, JoanADF; 2017Single pointDFTTZP-
thumbnail.jpeg7-Feb-2018/B3LYP/LaPr_NoLigands/Exp/Restart RestartGonzález Fabra, JoanADF; 2017Single pointDFTTZP-
thumbnail.jpeg7-Feb-2018/B3LYP/LaPr_NoLigands/Inv/FAIL FAILGonzález Fabra, JoanADF; 2017Single pointDFTTZP-
thumbnail.jpeg7-Feb-2018/B3LYP/LaPr_NoLigands/Inv InvGonzález Fabra, JoanADF; 2017Single pointDFTTZP-
Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 40
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