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 1524 to 1543 of 4070 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Mar-2023frq_Os_monomer_DMF_0_0Martins, FredericoADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023frq_Os_monomer_DMF_0_2Martins, FredericoADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023frq_Os_monomer_DMF_0_4Martins, FredericoADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023frq_Os_monomer_DMF_2_0Martins, FredericoADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023frq_Os_monomer_DMF_2_2Martins, FredericoADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg7-Nov-2023frq_pFRu2_0_1Mollfulleda, RosaADF; 2019; 307Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg7-Nov-2023frq_pFRuCl2_0_1Mollfulleda, RosaADF; 2019; 307Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023frq_Rh_monomer_DMF_1_0Martins, FredericoADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023frq_Rh_monomer_DMF_1_2Martins, FredericoADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023frq_Rh_monomer_DMF_1_4Martins, FredericoADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg7-Nov-2023frq_Ru1pF_0_2Mollfulleda, RosaADF; 2019; 307Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg7-Nov-2023frq_Ru1pF_0_4Mollfulleda, RosaADF; 2019; 307Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg20-Oct-2023frq_sc_0_1_2219918_outSwart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023frq_sc_2_1_2219619_outSwart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023frq_sc_2_3_2219620_outSwart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023frq_sc_2_5_2219621_outSwart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg7-Nov-2023frq_sp_pF_0_1Mollfulleda, RosaADF; 2019; 307Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg7-Nov-2023frq_sp_Ru1_0_2Mollfulleda, RosaADF; 2019; 307Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg7-Nov-2023frq_sp_Ru1_0_4Mollfulleda, RosaADF; 2019; 307Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg20-Oct-2023frq_styrene_0_1_2220297_outSwart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-