Molecular modeling of organophosphorous agents and their aqueous solutions

Keyphrases

• Aqueous Solution 100%
• Molecular Modeling 100%
• Organophosphate 100%
• Simulant 66%
• Organophosphorus Pesticides 66%
• Dimethyl Methylphosphonate 66%
• G-agents 66%
• Diisopropylfluorophosphate 66%
• Solvation 66%
• Structural Features 33%
• Molecular Scale 33%
• Molecular Dynamics Simulation 33%
• Nerve 33%
• Dynamic Properties 33%
• Structure-property Relationships 33%
• Chemical Warfare Agents 33%
• Scale Structure 33%
• Permselectivity 33%
• Interactions with Water 33%
• Competing Interactions 33%
• Conformational Mobility 33%
• Soman 33%
• Hydrophilic Group 33%
• Hydrophobic Group 33%
• Excess Mixing Volume 33%
• Protective Barrier 33%
• Sarin 33%
• Polyelectrolyte Membrane 33%

Pharmacology, Toxicology and Pharmaceutical Science

• Organophosphorus Compound 100%
• Dyflos 100%
• Methylphosphonic Acid 100%
• Polyelectrolyte 50%
• Sarin 50%
• Soman 50%
• Chemical Warfare Agent 50%

Chemistry

• Molecular Modeling 100%
• Aqueous Solution 100%
• Solvation 66%
• Diisopropyl Fluorophosphate 66%
• Structure 33%
• Chemical Warfare Agent 33%
• Molecular Dynamics 33%
• Soman 33%
• Protective 33%