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The Journal of Chemical Physics|February 26, 2009
Calculation of semiconductor band gaps with the M06-L density functionalYan Zhao, Donald G TruhlarThe Journal of Chemical Physics|June 6, 2008
Construction of a generalized gradient approximation by restoring the density-gradient expansion and enforcing a tight Lieb-Oxford boundYan Zhao, Donald G TruhlarThe Journal of Physical Chemistry. A|December 8, 2006
Density functional for spectroscopy: no long-range self-interaction error, good performance for Rydberg and charge-transfer states, and better performance on average than B3LYP for ground statesYan Zhao, Donald G TruhlarThe Journal of Physical Chemistry. A|July 13, 2006
Multicoefficient extrapolated density functional theory studies of pi...pi interactions: the benzene dimerYan Zhao, Donald G TruhlarJournal of Chemical Theory and Computation|November 27, 2015
Benchmark Energetic Data in a Model System for Grubbs II Metathesis Catalysis and Their Use for the Development, Assessment, and Validation of Electronic Structure MethodsYan Zhao, Donald G TruhlarThe Journal of Chemical Physics|June 21, 2006
Comparative assessment of density functional methods for 3d transition-metal chemistryYan Zhao, Donald G TruhlarThe Journal of Physical Chemistry. A|July 13, 2006
Infinite-basis calculations of binding energies for the hydrogen bonded and stacked tetramers of formic acid and formamide and their use for validation of hybrid DFT and ab initio methodsYan Zhao, Donald G TruhlarAccounts of Chemical Research|January 12, 2008
Density functionals with broad applicability in chemistryYan Zhao, Donald G TruhlarJournal of Chemical Theory and Computation|December 4, 2015
Assessment of Model Chemistries for Noncovalent InteractionsYan Zhao, Donald G TruhlarThe Journal of Physical Chemistry. A|September 1, 2006
Assessment of density functionals for pi systems: Energy differences between cumulenes and poly-ynes; proton affinities, bond length alternation, and torsional potentials of conjugated polyenes; and proton affinities of conjugated Shiff basesYan Zhao, Donald G TruhlarPageof 877