Identifying Reaction Pathways and their Environments: Methods and Applications

Engineering

• Low-Temperature 100%
• Saddle Point 100%
• Hydrogen Storage 75%
• Good Agreement 50%
• Rotational 50%
• Harmonics 50%
• Storage Capacity 25%
• Thermodynamic Stability 25%
• Eigenmode 25%
• Connecting Path 25%
• Defects 25%
• Adatom Diffusion 25%
• Direct Evaluation 25%
• Borohydride 25%

Chemistry

• Hydrogen 100%
• Density Functional Theory 33%
• Transition State 33%
• Transition State Theory 33%
• Adatoms 33%
• Crystal Displacement 33%
• Borohydride 33%
• Structure 33%

Keyphrases

• Accurate Rate 50%
• Rotational Dynamics 50%
• Complex Borohydrides 25%
• Interstitial Defects 25%