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Toward Ab Initio Optical Spectroscopy of the Fenna–Matthews–Olson Complex
Download from doi.orgLinear-scaling time-dependent density-functional theory in the linear response formalism
Download from arxiv.orgAnisotropic charge screening and supercell size convergence of defect formation energies
Download from arxiv.orgElectrostatic considerations affecting the calculated HOMO-LUMO gap in protein molecules
Download from doi.orgBromophenyl functionalization of carbon nanotubes: an ab initio study
Download from wrap.warwick.ac.ukPulay forces from localized orbitals optimized in situ using a psinc basis set
Download from wrap.warwick.ac.ukCalculating dispersion interactions using maximally-localized Wannier functions
Download from arxiv.orgImportance of many body effects in the kernel of hemoglobin for ligand binding
Download from link.aps.orgLinear-Scaling Density Functional Theory Simulations of Polar Semiconductor Nanorods
Download from dx.doi.orgVanadium dioxide : A Peierls-Mott insulator stable against disorder
Download from link.aps.orgFermi level pinning can determine polarity in semiconductor nanorods
Download from arxiv.orgThickness-dependent magnetic properties of oxygen-deficient EuO
Download from wrap.warwick.ac.ukFactors influencing the distribution of charge in polar nanocrystals
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