Fragment Molecular Orbital Method Adaptations for Heterogeneous Computing Platforms. In: Ali H, Shi Y, Khazanchi D, Lees M, VanAlbada GD, Dongarra J et al., editors. Proceedings of the International Conference on Computational Science, ICCS 2012. Vol 9. Amsterdam: Elsevier Science Bv; 2012. p. 489-97. (Procedia Computer Science; vol 9). Abstract
High-level theoretical study of the NO dimer and tetramer: Has the tetramer been observed? J Chem Phys. 2012;137:214316. Abstract
Natural Spinors Reveal How the Spin-Orbit Coupling Affects the Jahn-Teller Distortions in the Hexafluorotungstate(V) Anion. J Chem Theory Comput. 2012;8:3061-71. Abstract
Quantitative Advances in the Zintl-Klemm Formalism. In: Fassler TF, editor. Zintl Phases: Principles and Recent Developments. Vol 139. Berlin: Springer-Verlag Berlin; 2011. p. 1-55. (Struct Bond; vol 139). Abstract
Dynamic Frequency Scaling and Energy Saving in Quantum Chemistry Applications. Anchorage, Alaska: IEEE; 2011.
Effects of Spin-Orbit Coupling on Covalent Bonding and the Jahn-Teller Effect Are Revealed with the Natural Language of Spinors. Journal of Chemical Theory and Computation. 2011;7:2864-75. Abstract
Two-component natural spinors from two-step spin-orbit coupled wave functions. J Chem PhysJ Chem Phys. 2011;134:214107. Abstract
Solvent-Induced Shifts in Electronic Spectra of Uracil. J Phys Chem A. 2011;115:4574-82. Abstract
Electronic Structure Analysis of the Ground-State Potential Energy Curve of Be-2. Journal of Physical Chemistry A. 2010;114:8687-96. Abstract
