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Showing 2007 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2007
Predicting C-H/ interactions with nonlocal density functional theory
Joe Hooper, Valentino R. Cooper, T. Thonhauser +3
We examine the performance of a recently developed nonlocal density functional in predicting a model noncovalent interaction, the weak bond between an aromatic system and an al…
cond-mat.mtrl-sci2007★ 330 cited
Physisorption of Nucleobases on Graphene
S. Gowtham, Ralph H. Scheicher, Rajeev Ahuja +2
We report the results of our first-principles investigation on the interaction of the nucleobases adenine (A), cytosine (C), guanine (G), thymine (T), and uracil (U) with graphene,…