First-principles prediction of intermediate products in the decomposition of metal amidoboranes

Physics & Astronomy

• decomposition 100%
• products 84%
• predictions 70%
• enthalpy 70%
• metals 67%
• metal compounds 35%
• regeneration 29%
• reaction products 29%
• thermal decomposition 29%
• calcium 26%
• anions 24%
• prototypes 20%
• density functional theory 20%
• electrostatics 20%
• trends 19%
• phonons 17%
• ground state 17%
• hydrogen 16%
• polymers 15%

Engineering & Materials Science

• Decomposition 95%
• Enthalpy 80%
• Discrete Fourier transforms 57%
• Phonons 41%
• Ground state 39%
• Density functional theory 39%
• Metallic glass 36%
• Negative ions 35%
• Reaction products 34%
• Hydrogen storage 33%
• Calcium 28%
• Electrostatics 28%
• Pyrolysis 24%
• Polymers 19%

Chemical Compounds

• Decomposition 84%
• Enthalpy 62%
• Metal 59%
• Phonon 29%
• Ground State 20%
• Calcium(0) 20%
• Pyrolysis 18%
• Amorphous Material 18%
• Density Functional Theory 16%
• Anion 15%
• Hydrogen 13%
• Amount 11%