Browsing by Title

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 1 to 20 of 28235  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
16-Jul-20200-Supporting-VideosDattila, Federico--------
Login required15-Mar-2021/011_vacancies 10Nikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1037.73425688; eV
Login required15-Mar-2021/011_vacancies 11Nikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1037.79255967; eV
Login required15-Mar-2021/011_vacancies 2Nikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1038.08784720; eV
Login required15-Mar-2021/011_vacancies 4Nikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1037.93781860; eV
Login required15-Mar-2021/011_vacancies 6Nikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1037.71584649; eV
Login required15-Mar-2021/011_vacancies 9Nikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1037.88257214; eV
Login required15-Mar-2021/011_vacancies doubly-split_s2Nikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1038.13596846; eV
Login required15-Mar-2021/011_vacancies s1Nikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1038.72916564; eV
Login required15-Mar-2021/011_vacancies s2Nikačević, Pavlevasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1038.49724059; eV
thumbnail.jpeg19-Sep-2018/0_electrons/0_H+ Mo2O2S6(2-)Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.67460734; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/0_H+ Mo2O2S8(2-)Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.97429846; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/0_H+ W2O2S8(2-)Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-3.01446985; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/1_H+/Mo2O2S6H ABandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.63445499; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/1_H+/Mo2O2S6H BBandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.65022452; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/1_H+/Mo2O2S6H CBandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.63804783; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/1_H+/Mo2O2S8H A1Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.93219869; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/1_H+/Mo2O2S8H A2Bandeira, NunoADF; 2017Geometry optimization TSDFTTZ2P-2.93216777; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/1_H+/Mo2O2S8H B1Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.94759396; Eh
thumbnail.jpeg19-Sep-2018/0_electrons/1_H+/Mo2O2S8H B2Bandeira, NunoADF; 2017Geometry optimization MinimumDFTTZ2P-2.93876636; Eh