A diverse set of global minimum structures and low-lying isomers were found for BxHy (x=3-4, y=4-7) neutral and anionic clusters using the Gradient Embedded Genetic Algorithm (GEGA) program and coalescence kick method. Chemical bonding analysis was conducted using the Adaptive Natural Density Partitioning (AdNDP) method for all global minimum structures and low-lying isomers, and theoretical photoelectron spectra were calculated for the anionic BxHy clusters for comparison with future experimental work. AdNDP bonding analysis of the global minimum B4H4 cluster

Ab initio search for global minimum structures of novel B<sub>x</sub>H<sub>y</sub> (x=3-4, y=4−7) neutral and anionic clusters and theoretical photoelectron spectroscopic study of anionic BxHy clusters

240th National Meeting (2010)

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Ab initio search for global minimum structures of novel BxHy (x=3-4, y=4−7) neutral and anionic clusters and theoretical photoelectron spectroscopic study of anionic BxHy clusters

Ab initio search for global minimum structures of novel B_xH_y (x=3-4, y=4−7) neutral and anionic clusters and theoretical photoelectron spectroscopic study of anionic BxHy clusters