Posts Tagged ‘pchem’

Geometric and electronic factors in the rational design of transition-metal-centered boron molecular wheels

Sunday, June 1st, 2014

CB9 nice decomposition of sigma bonds: 9*2c-2e + 4*3c-2e

Geometric & electronic factors in… design of… B molecular wheels. Minimum E #isomer via Coalescence Kick (CK)
http://scitation.aip.org/content/aip/journal/jcp/138/13/10.1063/1.4798935