1. Institute of Chemical Research of Catalonia

Browsing by Subject Polyanions

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Showing results 1 to 20 of 53  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-May-2024/Phosphomolybdates P00Mo01O04-0HBuils, JordiADF; 2019Geometry optimizationPBETZP-1.74570419; Eh
thumbnail.jpeg13-May-2024/Phosphomolybdates P00Mo01O04-1HBuils, JordiADF; 2019Geometry optimizationPBETZP-1.75055617; Eh
thumbnail.jpeg13-May-2024/Phosphomolybdates P00Mo01O04-2HBuils, JordiADF; 2019Geometry optimizationPBETZP-1.72573354; Eh
thumbnail.jpeg13-May-2024/Phosphomolybdates P00Mo02O07-0HBuils, JordiADF; 2019Geometry optimizationPBETZP-2.98114577; Eh
thumbnail.jpeg13-May-2024/Phosphomolybdates P00Mo02O07-1HBuils, JordiADF; 2019Geometry optimizationPBETZP-2.95895922; Eh
thumbnail.jpeg13-May-2024/Phosphomolybdates P00Mo02O07-2HBuils, JordiADF; 2019Geometry optimizationPBETZP-2.92781491; Eh
thumbnail.jpeg13-May-2024/Phosphomolybdates P00Mo02O08-1HBuils, JordiADF; 2019Geometry optimizationPBETZP-3.47339964; Eh
thumbnail.jpeg13-May-2024/Phosphomolybdates P00Mo02O08-2HBuils, JordiADF; 2019Geometry optimizationPBETZP-3.50313465; Eh
thumbnail.jpeg13-May-2024/Phosphomolybdates P00Mo03O09-0HBuils, JordiADF; 2019Geometry optimizationPBETZP-3.58338521; Eh
thumbnail.jpeg13-May-2024/Phosphomolybdates P00Mo03O09-1HBuils, JordiADF; 2019Geometry optimizationPBETZP-3.50722286; Eh
thumbnail.jpeg13-May-2024/Phosphomolybdates P00Mo03O09-2HBuils, JordiADF; 2019Geometry optimizationPBETZP-3.42095384; Eh
thumbnail.jpeg13-May-2024/Phosphomolybdates P00Mo03O10-0HBuils, JordiADF; 2019Geometry optimizationPBETZP-4.19077605; Eh
thumbnail.jpeg13-May-2024/Phosphomolybdates P00Mo03O10-1HBuils, JordiADF; 2019Geometry optimizationPBETZP-4.16160486; Eh
thumbnail.jpeg13-May-2024/Phosphomolybdates P00Mo03O10-2HBuils, JordiADF; 2019Geometry optimizationPBETZP-4.12861861; Eh
thumbnail.jpeg13-May-2024/Phosphomolybdates P00Mo03O11-1HBuils, JordiADF; 2019Geometry optimizationPBETZP-4.73104812; Eh
thumbnail.jpeg13-May-2024/Phosphomolybdates P00Mo03O11-2HBuils, JordiADF; 2019Geometry optimizationPBETZP-4.73054485; Eh
thumbnail.jpeg13-May-2024/Phosphomolybdates P00Mo06O21-1HBuils, JordiADF; 2019Geometry optimizationPBETZP-8.89895087; Eh
thumbnail.jpeg13-May-2024/Phosphomolybdates P00Mo06O21-2HBuils, JordiADF; 2019Geometry optimizationPBETZP-8.89914192; Eh
thumbnail.jpeg13-May-2024/Phosphomolybdates P01Mo00O04-0HBuils, JordiADF; 2019Geometry optimizationPBETZP-1.65634593; Eh
thumbnail.jpeg13-May-2024/Phosphomolybdates P01Mo00O04-1HBuils, JordiADF; 2019Geometry optimizationPBETZP-1.70336271; Eh
Showing results 1 to 20 of 53  next >