1. Institute of Chemical Research of Catalonia

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Showing results 6758 to 6777 of 63063 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jun-2020c00041_out1_001_1_in2Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-193693.818524; eV
thumbnail.jpeg26-Jun-2020c00041_out1_001_2_in2Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-193695.720388; eV
thumbnail.jpeg26-Jun-2020c00041_out1_001_2b_in2Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-193694.663850; eV
thumbnail.jpeg26-Jun-2020c00041_out1_001_3_in2Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-193693.390083; eV
thumbnail.jpeg26-Jun-2020c00041_out1_001_4_in2Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-193695.797016; eV
thumbnail.jpeg26-Jun-2020c00041_out1_001_4b_in2Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-193694.658891; eV
thumbnail.jpeg26-Jun-2020c00041_out1_001_5_in2Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-193695.720483; eV
thumbnail.jpeg26-Jun-2020c00041_out1_001_5b_in2Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-193694.663849; eV
thumbnail.jpeg26-Jun-2020c00042Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.436348; eV
thumbnail.jpeg26-Jun-2020c00043Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.443215; eV
thumbnail.jpeg26-Jun-2020c00044Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.212128; eV
thumbnail.jpeg26-Jun-2020c00045Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.450091; eV
thumbnail.jpeg26-Jun-2020c00046Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.497054; eV
thumbnail.jpeg26-Jun-2020c00047Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.406438; eV
thumbnail.jpeg26-Jun-2020c00048Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.441659; eV
thumbnail.jpeg26-Jun-2020c00049Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.504448; eV
thumbnail.jpeg26-Jun-2020c00050Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.505193; eV
thumbnail.jpeg26-Jun-2020c00051Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.564496; eV
thumbnail.jpeg26-Jun-2020c00052Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.375634; eV
thumbnail.jpeg26-Jun-2020c00053Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.413623; eV
Showing results 6758 to 6777 of 63063 < previous   next >