Quantum chemical and molecular dynamics modelling of hydroxylated polybrominated diphenyl ethers

Keyphrases

• Hydroxylated Polybrominated Diphenyl Ethers 100%
• Chemical Dynamics 100%
• Molecular Dynamics Modeling 100%
• Partition Coefficient 33%
• Toxic Actions 33%
• Orientation Distribution Function 16%
• Density Functional Theory 16%
• Membrane Potential 16%
• Physicochemical Properties 16%
• Dissociation Constant 16%
• Solvation Free Energy 16%
• Toxicity Data 16%
• Cell Culture 16%

Biochemistry, Genetics and Molecular Biology

• Partition Coefficient 100%
• Dissociation Constant 50%
• Membrane Potential 50%
• Conformation 50%
• Solvation 50%
• Cell Culture 50%

Chemistry

• Diphenyl Ether 100%
• Logp 33%
• Partition Coefficient 33%
• Toxic 33%
• pKa 16%
• Density Functional Theory 16%
• Solvation 16%
• Membrane Potential 16%
• Dissociation Constant 16%