검색결과 : 10건
| No. | Article |
|---|---|
| 1 |
DL-FIND: An Open-Source Geometry Optimizer for Atomistic Simulations Kastner J, Carr JM, Keal TW, Thiel W, Wander A, Sherwood P Journal of Physical Chemistry A, 113(43), 11856, 2009 |
| 2 |
Vibrational analysis study of aluminum trifluoride phases Gross U, Rudiger S, Kemnitz E, Brzezinka KW, Mukhopadhyay S, Bailey C, Wander A, Harrison N Journal of Physical Chemistry A, 111(26), 5813, 2007 |
| 3 |
Aluminum chloride as a solid is not a strong Lewis acid Murthy JK, Gross U, Rudiger S, Rao VV, Kumar VV, Wander A, Bailey CL, Harrison NM, Kemnitz E Journal of Physical Chemistry B, 110(16), 8314, 2006 |
| 4 |
Composition and structure of the alpha-AIF(3)(0001) surface Wander A, Searle BG, Bailey CL, Harrison NM Journal of Physical Chemistry B, 109(48), 22935, 2005 |
| 5 |
Surface model and exchange-correlation functional effects on the description of Pd/alpha-Al2O3(0001) Gomes JRB, Illas F, Hernandez NC, Sanz JF, Wander A, Harrison NM Journal of Chemical Physics, 116(4), 1684, 2002 |
| 6 |
The structural relaxation of the alpha-Al2O3(0001) - an investigation of potential errors Gomes JRB, Moreira IDR, Reinhardt P, Wander A, Searle BG, Harrison NM, Illas F Chemical Physics Letters, 341(5-6), 412, 2001 |
| 7 |
On the prediction of band gaps from hybrid functional theory Muscat J, Wander A, Harrison NM Chemical Physics Letters, 342(3-4), 397, 2001 |
| 8 |
The stability of polar oxide surfaces: The interaction of H2O with ZnO(0001) and ZnO(000(1)over-bar Wander A, Harrison NM Journal of Chemical Physics, 115(5), 2312, 2001 |
| 9 |
An ab initio study of hydrogen adsorption on ZnO(10(1)over-bar0) Wander A, Harrison NM Journal of Physical Chemistry B, 105(26), 6191, 2001 |
| 10 |
Reconstruction of Clean and Adsorbate-Covered Metal-Surfaces Titmuss S, Wander A, King DA Chemical Reviews, 96(4), 1291, 1996 |