QM and QM/MM studies of uranyl fluorides in the gas and aqueous phases and in the hydrophobic cavities of tetrabrachion

Chemical Compounds

• Isoleucine Residue 100%
• Pseudopotential 77%
• Electronic Property 50%
• Gas 48%
• Protein 38%
• Cisplatin 33%
• Coordination Sphere 30%
• Steric Effect 30%
• Ligand 27%
• Electronic State 22%
• Molecule 21%
• Drug 16%
• Energy 14%

Physics & Astronomy

• fluorides 89%
• vapor phases 73%
• cavities 56%
• proteins 31%
• ligands 26%
• pseudopotentials 26%
• coils 21%
• molecules 14%
• electronics 13%
• drugs 13%
• functionals 12%
• electrons 11%
• inclusions 10%
• electronic structure 9%
• water 7%
• interactions 5%
• energy 3%