Smallest Fullerene-like Structures of Boron with Cr, Mo, and W Encapsulation

Keyphrases

• Boron 100%
• Cr-Mo 100%
• Fullerene-like 100%
• Boron Clusters 66%
• Cage Structure 66%
• Anion Cluster 66%
• Valence Electrons 66%
• Neutral Clusters 66%
• Anions 33%
• Density Functional Calculations 33%
• Mo-doped 33%
• W-doped 33%
• Electronic Structure 33%
• Gaussian 09 33%
• Highest Occupied Molecular Orbital 33%
• W Cluster 33%
• Lowest Unoccupied Molecular Orbital 33%
• Charged Clusters 33%
• Metal Atoms 33%
• Molecular Orbital 33%
• Doping with Boron 33%
• Boron Atom 33%
• Raman Spectra 33%
• Doped Clusters 33%
• Bonding Character 33%
• Mo Cluster 33%
• Infrared Spectra 33%
• PBE0 Functional 33%
• Isoelectronic 33%
• Low Energy Isomers 33%
• Pure Boron 33%

Chemistry

• Fullerene 100%
• Infrared Radiation 33%
• Lowest Unoccupied Molecular Orbital 33%
• Metal Atom 33%
• formation 33%
• Raman Spectra 33%
• Molecular Orbital 33%
• Purity 33%
• Gaussian Distribution 33%
• Electronic State 33%
• Density Functional Theory 33%
• Boron Atom 33%
• Highest Occupied Molecular Orbital 33%