Browsing by Subject Density Functional Theory

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 21 to 40 of 97 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required4-Oct-2021/dicopper diCu_EaltB_sym_frqSwart, MarcelADF; 2017Single pointS12g-x PBEcTZ2P-
Login required4-Oct-2021/dicopper diCu_EaltB_sym_optSwart, MarcelADF; 2017Single point QuildS12g-x PBEcTZ2P-
Login required4-Oct-2021/dicopper diCu_EaltB_sym_uvSwart, MarcelADF; 2017Single pointS12g-x PBEcTZ2P-
Login required4-Oct-2021/dicopper diCu_EaltC_3_frqSwart, MarcelADF; 2017Single pointS12g-x PBEcTZ2P-
Login required4-Oct-2021/dicopper diCu_EaltC_3_optSwart, MarcelADF; 2017Single point QuildS12g-x PBEcTZ2P-
Login required4-Oct-2021/dicopper diCu_EaltC_3_uvSwart, MarcelADF; 2017Single pointS12g-x PBEcTZ2P-
Login required4-Oct-2021/dicopper diCu_EaltC_frqSwart, MarcelADF; 2017Single pointS12g-x PBEcTZ2P-
Login required4-Oct-2021/dicopper diCu_EaltC_optSwart, MarcelADF; 2017Single point QuildS12g-x PBEcTZ2P-
Login required4-Oct-2021/dicopper diCu_EaltC_uvSwart, MarcelADF; 2017Single pointS12g-x PBEcTZ2P-
Login required4-Oct-2021/dicopper diCu_EaltD_frqSwart, MarcelADF; 2019; 304Single pointS12g-x PBEcTZ2P-
Login required4-Oct-2021/dicopper diCu_EaltD_optSwart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required4-Oct-2021/dicopper diCu_EaltE_frqSwart, MarcelADF; 2017Single pointS12g-x PBEcTZ2P-
Login required4-Oct-2021/dicopper diCu_EaltE_optSwart, MarcelADF; 2017Single point QuildS12g-x PBEcTZ2P-
Login required4-Oct-2021/dicopper diCu_EaltF_3_optSwart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required4-Oct-2021/dicopper diCu_EaltF_optSwart, MarcelADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required4-Oct-2021/dicopper diCu_F_frqSwart, MarcelADF; 2017Single pointS12g-x PBEcTZ2P-
Login required4-Oct-2021/dicopper diCu_F_optSwart, MarcelADF; 2017Single point QuildS12g-x PBEcTZ2P-
Login required4-Oct-2021/dicopper diCu_F_uvSwart, MarcelADF; 2017Single pointS12g-x PBEcTZ2P-
Login required4-Oct-2021/dicopper diCu_Falt-cis_3_optSwart, MarcelADF; 2017Single point QuildS12g-x PBEcTZ2P-
Login required4-Oct-2021/dicopper diCu_Falt-cis_frqSwart, MarcelADF; 2017Single pointS12g-x PBEcTZ2P-