검색결과 : 17건
| No. | Article |
|---|---|
| 1 |
DFT-Derived Reactive Potentials for the Simulation of Activated Processes: the Case of CdTe and CdTe:S Hu XL, Ciaglia R, Pietrucci F, Gallet GA, Andreoni W Journal of Physical Chemistry B, 118(24), 6531, 2014 |
| 2 |
A first principle study of terahertz (THz) spectra of acephate Zhang Y, Peng XH, Chen Y, Chen J, Curioni A, Andreoni W, Nayak SK, Zhang XC Chemical Physics Letters, 452(1-3), 59, 2008 |
| 3 |
The binding domain of the HMGB1 inhibitor carbenoxolone: Theory and experiment Mollica L, Curioni A, Andreoni W, Bianchi ME, Musco G Chemical Physics Letters, 456(4-6), 236, 2008 |
| 4 |
Metal-carbon nanotube contacts: The link between Schottky barrier and chemical bonding Vitale V, Curioni A, Andreoni W Journal of the American Chemical Society, 130(18), 5848, 2008 |
| 5 |
Broken inter-C-60 bonds as the cause of magnetism in polymeric C-60: A density functional study using C-60 dimers Ribas-Arino J, Curioni A, Andreoni W, Novoa JJ Journal of Physical Chemistry A, 109(23), 4979, 2005 |
| 6 |
Decanethiols on gold: The structure of self-assembled monolayers unraveled with computer simulations Fischer D, Curioni A, Andreoni W Langmuir, 19(9), 3567, 2003 |
| 7 |
Key steps of the cis-platin-DNA interaction: Density functional theory-based molecular dynamics simulations Carloni P, Sprik M, Andreoni W Journal of Physical Chemistry B, 104(4), 823, 2000 |
| 8 |
First-principles molecular dynamics simulations of H2O on alpha-Al2O3 (0001) Hass KC, Schneider WF, Curioni A, Andreoni W Journal of Physical Chemistry B, 104(23), 5527, 2000 |
| 9 |
Thiols and disulfides on the Au(111) surface: The headgroup-gold interaction Gronbeck H, Curioni A, Andreoni W Journal of the American Chemical Society, 122(16), 3839, 2000 |
| 10 |
Metal-Alq(3) complexes: The nature of the chemical bonding Curioni A, Andreoni W Journal of the American Chemical Society, 121(36), 8216, 1999 |