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Physical Chemistry Chemical Physics : PCCP|May 10, 2008
Computational characterization and modeling of buckyball tweezers: density functional study of concave-convex pi...pi interactionsYan Zhao, Donald G TruhlarOrganic Letters|December 1, 2006
A density functional that accounts for medium-range correlation energies in organic chemistryYan Zhao, Donald G TruhlarThe Journal of Physical Chemistry. A|July 11, 2008
Improved description of nuclear magnetic resonance chemical shielding constants using the M06-L meta-generalized-gradient-approximation density functionalYan Zhao, Donald G TruhlarOrganic Letters|April 13, 2007
Attractive noncovalent interactions in the mechanism of grubbs second-generation Ru catalysts for olefin metathesisYan Zhao, Donald G TruhlarPhysical Chemistry Chemical Physics : PCCP|September 29, 2005
How well can new-generation density functional methods describe stacking interactions in biological systems?Yan Zhao, Donald G TruhlarJournal of Chemical Theory and Computation|December 3, 2015
Density Functionals for Noncovalent Interaction Energies of Biological ImportanceYan Zhao, Donald G TruhlarJournal of Chemical Theory and Computation|December 8, 2015
Benchmark Databases for Nonbonded Interactions and Their Use To Test Density Functional TheoryYan Zhao, Donald G TruhlarThe Journal of Physical Chemistry. A|January 24, 2008
How well can new-generation density functionals describe the energetics of bond-dissociation reactions producing radicals?Yan Zhao, Donald G TruhlarJournal of Chemical Theory and Computation|December 2, 2015
Exploring the Limit of Accuracy of the Global Hybrid Meta Density Functional for Main-Group Thermochemistry, Kinetics, and Noncovalent InteractionsYan Zhao, Donald G TruhlarThe Journal of Physical Chemistry. A|July 13, 2006
Design of density functionals that are broadly accurate for thermochemistry, thermochemical kinetics, and nonbonded interactionsYan Zhao, Donald G TruhlarPageof 877