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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Apr-2018/ADF17_calculations/Opt Siii_freqsRoser, MoralesADF; 2017Single point MinimumDFTTZP-
thumbnail.jpeg23-Apr-2018/ADF17_calculations/Opt Si_freqsRoser, MoralesADF; 2017Single point MinimumDFTTZP-
Login required17-Jul-2018ScGd@C84_ipr_21Abella, LauraADF; 2013; 01Single point MinimumDFTTZP; TZ2P-
Login required17-Jul-2018ScGd@C84_ipr_23Abella, LauraADF; 2013; 01Single point MinimumDFTTZP; TZ2P-
Login required17-Jul-2018ScGd@C84Abella, LauraADF; 2013; 01Single point MinimumDFTTZP; TZ2P-
Login required28-Jun-2017Lu3N@C80_THJ_ori1Abella, LauraADF; 2016Single point MinimumDFTTZP-1459.80863320; eV
thumbnail.jpeg5-Dec-2016/th@c82_ipr8_frequencies th@c82_ipr8_freqRoser, MoralesADF; 2013; 01Single point MinimumDFTTZP-
Login required28-Jun-2017Lu3N@C80_mixteAbella, LauraADF; 2016Single point MinimumDFTTZP-1459.96163559; eV
Login required28-Jun-2017Lu3N@C80_THJ_ori2Abella, LauraADF; 2016Single point MinimumDFTTZP-1459.82350679; eV
thumbnail.jpeg1-Mar-2016Frequencies_of_Sc2O@Td(2)-C76Abella, LauraADF; 2012; 01Single point MinimumDFTTZP; TZ2P-
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