Contains the keyword electronic structure
Determination of a new structure type in the Sc-Fe-Ge-Sn system. J Alloy Compd. 2013;546:300-6. Abstract
The Benchmark of Gutzwiller Density Functional Theory in Hydrogen Systems. Int J Quantum Chem. 2012;112:240-6. 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
Zigzag Chains of Alternating Atoms in A(2)AuBi (A = Na, K) and K2AuSb. Synthesis, Structure, and Bonding. Zeitschrift Fur Anorganische Und Allgemeine Chemie. 2010;636:67-73. Abstract
A priori identification of configurational deadwood. Chemical Physics. 2009;356:64-75. Abstract
Influence of the electronic structure on the ductile behavior of B2 CsCl-type AB intermetallics. Acta Materialia. 2009;57:5876-81. Abstract
Resistivity anisotropy of AFe(2)As(2) (A=Ca, Sr, Ba): Direct versus Montgomery technique measurements. Physical Review B. 2009;79:134528. Abstract
A component approach to collaborative scientific software development: Tools and techniques utilized by the Quantum Chemistry Science Application Partnership. Scientific Programming. 2008;16:287-96. Abstract
Relation between chemical bonding and exchange coupling approaches to the description of ordering in itinerant magnets. J Comput Chem. 2008;29:2177-86. Abstract
Atomic and electronic structures of Ag/Si(111)-c(12x2) surface: A first-principles study. Physical Review B. 2008;78:245418. Abstract
















