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Theory of a competitive spin liquid state for kappa-(BEDT-TTF) 2Cu2 (CN) 3 and EtMe3Sb [Pd (dmit) 2] 2. arXiv preprint arXiv:1307.0829.. 2013.
Rapid Microwave Preparation and ab Initio Studies of the Stability of the Complex Noble Metal Oxides La2BaPdO5 and La2BaPtO5. Inorganic chemistry.. 2014.
Trends in the Electronic Structure of Extended Gold Compounds: Implications for Use of Gold in Heterogeneous Catalysis. Inorg. Chem.. 51:7569.. 2012.
On the Stereochemical Inertness of the Auride Lone Pair: Ab Initio Studies of AAu (A= K, Rb, Cs). Inorganic chemistry. 52:8183–8189.. 2013.
Caesium in high oxidation states and as a p-block element. Nature chemistry. 5:846–852.. 2013.
High Pressure Electrides: A Predictive Chemical and Physical Theory. Accounts of chemical research. 47:1311–1317.. 2014.
Electronic structure of a single-layer InN quantum well in a GaN matrix. Appl. Phys. Lett.. 102:102103.. 2013.
Preface to special topic: A survey of some new developments in heterogeneous catalysis. J. Chem. Phys.. 128 (18):art.no.182501.. 2008.
Phase Coexistence Calculations of Reversibly Bonded Block Copolymers: A Unit Cell Gibbs Ensemble Approach. Macromolecules.. 2014.
Numerical self-consistent field theory of multicomponent polymer blends in the Gibbs ensemble. Soft Matter. 9:11288–11294.. 2013.
Catalysis by Doped Oxides. Chemical Reviews. in press. 2013.
Effects of In profile on simulations of InGaN/GaN multi-quantum-well light-emitting diodes. Applied Physics Letters. 105:083507.. 2014.
Weak coordination of neutral S-and O-donor proximal ligands to a ferrous porphyrin nitrosyl. Characterization of 6-coordinate complexes at low T. Journal of Inorganic Biochemistry. 121:129.. 2013.
Coherent states formulation of polymer field theory. The Journal of chemical physics. 140:024905.. 2014.
Coherent States Formulation of Polymer Field Theory. http://arxiv.org/abs/1301.1357. (submitted). 2013.
Effects of hole localization on limiting p-type conductivity in oxide and nitride semiconductors. Journal of Applied Physics. 115:012014.. 2014.
Why nitrogen cannot lead to p-type conductivity in ZnO. Appl. Phys. Lett.. 95:252105.. 2009.
Effects of carbon on the electrical and optical properties of InN, GaN, and AlN. Physical Review B. 89:035204.. 2014.
Role of Si and Ge as impurities in ZnO. Phys. Rev. B. 80:205113.. 2009.
Carbon impurities and the yellow luminescence in GaN. Appl. Phys. Lett.. 97:152108.. 2010.
Impact of Group-II Acceptors on the Electrical and Optical Properties of GaN. J. Appl. Phys.. 52:08JJ04.. 2013.
Shallow versus Deep Nature of Mg Acceptors in Nitride Semiconductors. Phys. Rev. Letters. 108:156403.. 2012.
Parallel processing of filtered queries in attributed semantic graphs. Journal of Parallel and Distributed Computing.. 2014.
A Flexible Open-Source Toolbox for Scalable Complex Graph Analysis. SIAM Conference on Data Mining (SDM). in press. 2012.