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 3333 to 3352 of 4618 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Mar-2023opt_Os_monomer_DMF_0_4Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023opt_Os_monomer_DMF_2_0Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023opt_Os_monomer_DMF_2_2Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg7-Nov-2023opt_pFRu2_0_1Mollfulleda, RosaADF; 2019; 307Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg7-Nov-2023opt_pFRuCl2_0_1Mollfulleda, RosaADF; 2019; 307Single point QuildS12g-x PBEcTZ2P-
Login required8-May-2024opt_rcOHbS_0_1Mollfulleda, RosaADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023opt_Rh_monomer_DMF_1_0Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023opt_Rh_monomer_DMF_1_2Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023opt_Rh_monomer_DMF_1_4Martins, FredericoADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg7-Nov-2023opt_Ru1pF_0_2Mollfulleda, RosaADF; 2019; 307Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg7-Nov-2023opt_Ru1pF_0_4Mollfulleda, RosaADF; 2019; 307Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg20-Oct-2023opt_sc-cons_2_3_2219334_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023opt_sc-cons_2_5_2219335_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023opt_sc-feii_2_3_1247263_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023opt_sc-feii_2_5_1247264_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023opt_sc_0_1_2219697_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023opt_sc_2_3_2219330_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023opt_sc_2_5_2219331_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023opt_styrene_0_1_2220271_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023opt_styreneO_0_1_1246741_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-