1. Institute of Chemical Research of Catalonia

Browsing by Author Chuong Nguyën, Huu

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Showing results 21 to 40 of 487 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Oct-2018b1_cleanChuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-202554.115288; eV
thumbnail.jpeg30-Oct-2018b1_O1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-203418.879521; eV
thumbnail.jpeg30-Oct-2018b1_OH1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-203456.425546; eV
thumbnail.jpeg30-Oct-2018b1_OOH1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-204324.236762; eV
thumbnail.jpeg30-Oct-2018b1nO1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-203421.468372; eV
thumbnail.jpeg30-Oct-2018b1nOH1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-203457.720578; eV
thumbnail.jpeg30-Oct-2018b1nOOH1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-204325.449562; eV
thumbnail.jpeg30-Oct-2018c00001Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208218.943426; eV
thumbnail.jpeg26-Jun-2020c00001Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.535118; eV
thumbnail.jpeg5-Nov-2018c00002Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.717413; eV
thumbnail.jpeg26-Jun-2020c00002Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.572542; eV
thumbnail.jpeg5-Nov-2018c00003Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.661857; eV
thumbnail.jpeg26-Jun-2020c00003Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.269083; eV
thumbnail.jpeg5-Nov-2018c00004Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208218.933643; eV
thumbnail.jpeg26-Jun-2020c00004Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.508269; eV
thumbnail.jpeg26-Jun-2020c00005Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.460198; eV
thumbnail.jpeg5-Nov-2018c00006Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.682138; eV
thumbnail.jpeg26-Jun-2020c00006Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.433581; eV
thumbnail.jpeg5-Nov-2018c00007Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.717506; eV
thumbnail.jpeg26-Jun-2020c00007Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.492320; eV
Showing results 21 to 40 of 487 < previous   next >