Minimizing a 'bonding free energy', which equals the entropy of the electron distribution over 2c-2e and 3c-2e bonds under octet constraints, is proposed as a structure-prediction criterion for boron systems.
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Entropy-driven electron density and effective model Hamiltonian for boron systems
Minimizing a 'bonding free energy', which equals the entropy of the electron distribution over 2c-2e and 3c-2e bonds under octet constraints, is proposed as a structure-prediction criterion for boron systems.