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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jun-2020c00014Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.554148; eV
thumbnail.jpeg5-Nov-2018c00015Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.305905; eV
thumbnail.jpeg26-Jun-2020c00015Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.571427; eV
thumbnail.jpeg26-Jun-2020c00016Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.495063; eV
thumbnail.jpeg5-Nov-2018c00017Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.305905; eV
thumbnail.jpeg26-Jun-2020c00017Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.461482; eV
thumbnail.jpeg26-Jun-2020c00018Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.525852; eV
thumbnail.jpeg26-Jun-2020c00019Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.513176; eV
thumbnail.jpeg26-Jun-2020c00020Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.499283; eV
thumbnail.jpeg26-Jun-2020c00021Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.486134; eV
thumbnail.jpeg26-Jun-2020c00022Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.495853; eV
thumbnail.jpeg26-Jun-2020c00023Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.264234; eV
thumbnail.jpeg26-Jun-2020c00024Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.470631; eV
thumbnail.jpeg26-Jun-2020c00025Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129136.439124; eV
thumbnail.jpeg26-Jun-2020c00026Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.460496; eV
thumbnail.jpeg26-Jun-2020c00027Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.643275; eV
thumbnail.jpeg26-Jun-2020c00028Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.436281; eV
thumbnail.jpeg26-Jun-2020c00029Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.424435; eV
thumbnail.jpeg26-Jun-2020c00030Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.263307; eV
thumbnail.jpeg26-Jun-2020c00031Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.466234; eV