1. UdG

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 4357 to 4376 of 4713 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Jun-2020TS2_primMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPGEN-3393.6338414; Eh
thumbnail.jpeg4-Mar-2019TS2_TPSShStanczak, AgnieszkaGaussian; 09; AM64L-G09RevC.01Single point StructureUTPSSh--
thumbnail.jpeg4-Mar-2019TS2_wB97XDStanczak, AgnieszkaGaussian; 09; AM64L-G09RevC.01Single point StructureUwB97XD--
thumbnail.jpeg6-Nov-2017TS2prim3prim_FeBorowski, TomaszGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; B3LYP; AMBER--
thumbnail.jpeg23-Jul-2021TS3montilla, marcGaussian; 16; ES64L-G16RevA.03Single point StructureRrevTPSSrevTPSSDEF2TZVP-2682.471094; Eh
thumbnail.jpeg23-Jun-2020TS3Miłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPGEN-3393.6214609; Eh
thumbnail.jpeg6-Nov-2017TS34_FeBorowski, TomaszGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; B3LYP; AMBER--
thumbnail.jpeg6-Nov-2017TS39_FeBorowski, TomaszGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; B3LYP; AMBER--
thumbnail.jpeg12-Dec-2023TS3_Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point Structure-DUMMY-3304.98803959; Eh
thumbnail.jpeg6-Nov-2017TS3bis7_FeBorowski, TomaszGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; B3LYP; AMBER--
thumbnail.jpeg6-Nov-2017TS3prim3bis_FeBorowski, TomaszGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; B3LYP; AMBER--
thumbnail.jpeg6-Nov-2017TS45_FeBorowski, TomaszGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; B3LYP; AMBER--
thumbnail.jpeg30-Oct-2017TS45_NiBorowski, TomaszGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; B3LYP; AMBER--
thumbnail.jpeg23-Jun-2020TS4_primMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPGEN-3393.6446844; Eh
thumbnail.jpeg23-Jun-2020TS4BMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYPGEN-915.6579274; Eh
thumbnail.jpeg23-Jun-2020TS5Miłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPGEN-992.5904823; Eh
thumbnail.jpeg23-Jun-2020TS5_primMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYPGEN-916.0999699; Eh
thumbnail.jpeg23-Jun-2020TS5BMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYPGEN-915.653199; Eh
thumbnail.jpeg30-Oct-2017TS67_NiBorowski, TomaszGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; B3LYP; AMBER--
thumbnail.jpeg23-Jun-2020TS6_primMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYPGEN-916.1158661; Eh
Showing results 4357 to 4376 of 4713 < previous   next >