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| 024 | 7 | _ | |a 10.1103/PhysRevLett.102.136809 |2 DOI |
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| 041 | _ | _ | |a eng |
| 082 | _ | _ | |a 550 |
| 084 | _ | _ | |2 WoS |a Physics, Multidisciplinary |
| 100 | 1 | _ | |a Atodiresei, N. |b 0 |u FZJ |0 P:(DE-Juel1)130513 |
| 245 | _ | _ | |a Chemical versus van der Waals Interaction: The Role of the Heteroatom in the Flat Absorption of Aromatic Molecules C6H6, C5NH5, and C4N2H4 on the Cu(110) Surface |
| 260 | _ | _ | |a College Park, Md. |b APS |c 2009 |
| 300 | _ | _ | |a 136809 |
| 336 | 7 | _ | |a Journal Article |0 PUB:(DE-HGF)16 |2 PUB:(DE-HGF) |
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| 440 | _ | 0 | |a Physical Review Letters |x 0031-9007 |0 4925 |y 13 |v 102 |
| 500 | _ | _ | |a This work was supported by the German Physical Society, Alexander von Humboldt Foundation, and Japan Society for the Promotion of Science. |
| 520 | _ | _ | |a We perform first-principles calculations aimed at investigating the role of a heteroatom such as N in the chemical and long-range van der Waals (vdW) interactions for a flat adsorption of several pi-conjugated molecules on the Cu(110) surface. Our study reveals that the alignment of the molecular orbitals at the adsorbate-substrate interface depends on the number of heteroatoms. As a direct consequence, the molecule-surface vdW interactions involve not only pi-like orbitals which are perpendicular to the molecular plane but also sigma-like orbitals delocalized in the molecular plane. |
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| 700 | 1 | _ | |a Blügel, S. |b 3 |u FZJ |0 P:(DE-Juel1)130548 |
| 773 | _ | _ | |a 10.1103/PhysRevLett.102.136809 |g Vol. 102, p. 136809 |p 136809 |q 102<136809 |0 PERI:(DE-600)1472655-5 |t Physical review letters |v 102 |y 2009 |x 0031-9007 |
| 856 | 7 | _ | |u http://dx.doi.org/10.1103/PhysRevLett.102.136809 |
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