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Ab-initio protein structure ... The problem: Predict the three dimensional structure. of a protein ... terms for hydrophobicity, hydrogen bonds etc. ...
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dQ : extra charge per atomic specie. Confinement: imposed separately per angular momentum shell ... Per atomic species: global dQ. Confinement impossed ...
Solid Oxide Fuel Cells: ab-initio calculations of material properties and survey ... Bauer & Pries experiment with solid oxide electrolytes. first cost ...
Modeling Materials for Solar Energy Capture and ... Work supported by the National Science Foundation and the ... of semiconductors (Si, CdTe, CdS, ...
... of electrical conductance with more GC bases only - like an ordinary electrical ... electron state of the Gold overlaps with DNA base G of GC but not with A of AT. ...
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