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Publications by T. P. Hanusa
Trends in the Structures and Energetics of the Group 14 Metallocenes (C5H5)2M (M = Si−Pb): A Density Functional Theory Study
Organometallics
Organic Chemistry
Inorganic Chemistry
Theoretical Chemistry
Physical
Related publications
Structures and Energetics of Interfaces in Materials – Ab-Initio Local-Density-Functional Theory –
Microscopy and Microanalysis
Instrumentation
Structures and Energetics of Silicon Nanotubes From Molecular Dynamics and Density Functional Theory
Physical Review B
Density Functional Theory Study on the B Doping and B/P Codoping of Si Nanocrystals Embedded in SiO2
Physical Review B
Optical
Electronic
Condensed Matter Physics
Magnetic Materials
Energetics and Couplings in Oligoacene-Based Singlet Fission: Efficient and Accurate Density Functional Theory Tells the Story
Density Functional Theory Study of the Reaction Mechanism and Energetics of the Reduction of Hydrogen Peroxide by Ebselen, Ebselen Diselenide, and Ebselen Selenol
Pb-Free Ferroelectrics Investigated With Density Functional Theory: SnAl1/2Nb1/2O3perovskites
Physical Review B
A Density Functional Theory Study of the Charge State of Hydrogen in Metal Hydrides
Journal of Physical Chemistry C
Surfaces
Energy
Nanoscience
Theoretical Chemistry
Optical
Magnetic Materials
Films
Nanotechnology
Electronic
Coatings
Physical
Improved Adsorption Energetics Within Density-Functional Theory Using Revised Perdew-Burke-Ernzerhof Functionals
Physical Review B
Near Surface Stoichiometry in UO2: A Density Functional Theory Study
Journal of Chemistry
Chemistry
