First principle structural determination of (B2O3)n (n = 1–6) clusters: From planar to cage

Theoretical prediction for the structures of gas phase lithium oxide clusters: (Li2O)n(n= 1-8)

(2012) Yuan Yuan et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Density-functional global optimization of (La2O3)n clusters

(2012) Xun-Lei Ding et al.   JOURNAL OF CHEMICAL PHYSICS

B14: An all-boron fullerene

(2012)   JOURNAL OF CHEMICAL PHYSICS

Geometric and electronic structures of (BeO)N (N = 2–12, 16, 20, and 24): Rings, double rings, and cages

(2012) Lei Ren et al.   JOURNAL OF CHEMICAL PHYSICS

Structural determination of (Al2O3)n (n=1–7) clusters based on density functional calculation

(2012) Rong Li et al.   Computational and Theoretical Chemistry

Structural and Electronic Properties of (Al2O3)n Clusters with n = 1–10 from First Principles Calculations

(2011) Amol B. Rahane et al.   Journal of Physical Chemistry C

Dopant-induced 2D–3D transition in small Au-containing clusters: DFT-global optimisation of 8-atom Au–Ag nanoalloys

(2011) Sven Heiles et al.   Nanoscale

Atomistic and electronic structure of (X2O3)n nanoclusters; n=1-5, X=B, Al, Ga, In and Tl

(2011) S. M. Woodley   PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Theoretical study of medium-sized clusters of (Al2O3)n – From single cage to core–shell cage

(2011) YongBing Gu et al.   Computational and Theoretical Chemistry

The σ delocalization in planar boron clusters

(2009) Luis Rincon et al.   DALTON TRANSACTIONS

Density functional study on cage and noncage (Fe2O3)n clusters

(2009) Xun-Lei Ding et al.   JOURNAL OF CHEMICAL PHYSICS

TdB(BO)4−: A Tetrahedral Boron Oxide Cluster Analogous to Boron HydrideTdBH4−

(2009) Wen-Zhi Yao et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Thermochemistry and Electronic Structure of Small Boron and Boron Oxide Clusters and Their Anions

(2009) Minh Tho Nguyen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical Study on (Al2O3)n(n= 1–10 and 30) Fullerenes and H2Adsorption Properties

(2008) Jiao Sun et al.   INORGANIC CHEMISTRY

Low-lying isomers of the B9− boron cluster: The planar molecular wheel versus three-dimensional structures

(2008) Li-Li Pan et al.   JOURNAL OF CHEMICAL PHYSICS

Revealing Intuitively Assessable Chemical Bonding Patterns in Organic Aromatic Molecules via Adaptive Natural Density Partitioning

(2008) Dmitry Yu. Zubarev et al.   JOURNAL OF ORGANIC CHEMISTRY

B2(BO)22-Diboronyl Diborene:  A Linear Molecule with a Triple Boron−Boron Bond

(2008) Si-Dian Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

”Developing paradigms of chemical bonding: adaptive natural density partitioning

(2008) Dmitry Yu. Zubarev et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS