Molecular-dynamics simulations of pyronine 6G and rhodamine 6G dimers in aqueous solution

Keyphrases

• Aqueous Solution 100%
• Computational Protocol 25%
• Dimer Formation 50%
• Electrostatic Energy 25%
• Electrostatic Force 25%
• Energy Arguments 25%
• Energy Change 25%
• Entropy Contribution 25%
• Free Energy Change 25%
• Integration Procedure 25%
• Laser Dye 25%
• Molecular Dynamics Simulation 100%
• Partial Atomic Charges 25%
• Positively Charged 25%
• Pyronine 100%
• Relative Rotation 25%
• Rhodamine 6G (Rh6G) 100%
• Simulation Time 25%
• Solvent-induced 25%
• Solvent-mediated 25%
• Thermodynamic Integration 25%

Biochemistry, Genetics and Molecular Biology

• Aqueous Solution 100%
• Computer Simulation 100%
• Conformation 33%
• Dimerization 66%
• Dye Laser 33%
• Rhodamine 6G 100%