DNA base trimers: Empirical and quantum chemical ab initio calculations versus experiment in vacuo

Engineering & Materials Science

• Potential energy surfaces 100%
• Density functional theory 89%
• Electronic structure 89%
• Hydrogen bonds 82%
• Molecular dynamics 67%
• Electrostatics 64%
• DNA 62%
• Quenching 62%
• Geometry 36%
• Testing 31%
• Experiments 21%

Chemical Compounds

• Trimer 59%
• Ab Initio Calculation 52%
• Perturbation Theory 9%
• Uracil 9%
• Potential Energy Surface 8%
• Energy 8%
• Error 6%
• Molecular Dynamics 6%
• Electronic State 6%
• Force 5%
• Density Functional Theory 5%
• Hydrogen 4%