A photoelectron spectroscopy and ab initio study of B21−: Negatively charged boron clusters continue to be planar at 21

Deciphering Chemical Bonding in a BC3 Honeycomb Epitaxial Sheet

(2012) Ivan A. Popov et al.   Journal of Physical Chemistry C

Unravelling phenomenon of internal rotation in B13+ through chemical bonding analysis

(2011) Gerardo Martínez-Guajardo et al.   CHEMICAL COMMUNICATIONS

All-boron analogues of aromatic hydrocarbons: B17− and B18−

(2011) Alina P. Sergeeva et al.   JOURNAL OF CHEMICAL PHYSICS

B19−: An Aromatic Wankel Motor

(2010) J. Oscar C. Jiménez-Halla et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

THE CHEMICAL BONDING OF Re3Cl9AND REVEALED BY THE ADAPTIVE NATURAL DENSITY PARTITIONING ANALYSES

(2010) Alina P. Sergeeva et al.   COMMENTS ON INORGANIC CHEMISTRY

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

(2010) M. Valiev et al.   COMPUTER PHYSICS COMMUNICATIONS

H·(H2O)nClusters: Microsolvation of the Hydrogen Atom via Molecular ab Initio Gradient Embedded Genetic Algorithm (GEGA)

(2010) Anastassia N. Alexandrova   JOURNAL OF PHYSICAL CHEMISTRY A

On the Analogy of B−BO and B−Au Chemical Bonding in B11O−and B10Au−Clusters

(2010) Hua-Jin Zhai et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A concentric planar doubly π-aromatic B19− cluster

(2010) Wei Huang et al.   Nature Chemistry

The performance of minima hopping and evolutionary algorithms for cluster structure prediction

(2009) Sandro E. Schönborn et al.   JOURNAL OF CHEMICAL PHYSICS

Predicting solid compounds via global exploration of the energy landscape of solids on theab initiolevel without recourse to experimental information

(2009) J. Christian Schön et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Experimental and theoretical investigations of CB8−: towards rational design of hypercoordinated planar chemical species

(2009) Boris B. Averkiev et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Self-doping in boron sheets from first principles: A route to structural design of metal boride nanostructures

(2009) Hui Tang et al.   PHYSICAL REVIEW B

Probing the 2D to 3D Structural Transition in Gold Cluster Anions Using Argon Tagging

(2009) Wei Huang et al.   PHYSICAL REVIEW LETTERS

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

Deciphering Chemical Bonding in Golden Cages

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

Carbon Avoids Hypercoordination in CB6−, CB62−, and C2B5−Planar Carbon−Boron Clusters

(2008) Boris B. Averkiev et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Photoelectron Spectroscopic and Theoretical Study of B16−and B162−: An All-Boron Naphthalene

(2008) Alina P. Sergeeva 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

Ab initioprediction of stable boron sheets and boron nanotubes: Structure, stability, and electronic properties

(2008) Xiaobao Yang et al.   PHYSICAL REVIEW B