Density functionals.
Overview
| Works: | 24 works in 15 publications in 15 languages | |
|---|---|---|
Titles
Structure and Electronic Properties of Ultrathin In Films on Si(111)
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Energy level alignment and electron transport through metal/organic contacts = from interfaces to molecular electronics /
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Applications of density functional theory to biological and bioinorganic chemistry
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Optical absorption spectra calculated using linear-scaling density-functional theory
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Optimised projections for the Ab initio simulation of large and strongly correlated systems
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Principles and applications of densitiy functional theory in inorganic chemistry I
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Principles and applications of density functional theory in inorganic chemistry II
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Energy level alignment and electron transport through metal/organic contacts : = from interfaces to molecular electronics /
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Recent developments and applications of modern density functional theory
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Electronic Structure Methods for Complex Materials = The orthogonalized linear combination of atomic orbitals /
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A new-generation density functional = towards chemical accuracy for chemistry of main group elements /
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Surface area and porosity determinations by physisorption = measurements and theory /
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