-
6
-
-
84858527790
-
Total energy methods to study the thermodynamics of surface processes
-
Dassia, Corfu, Greece, 25-27 June (unpublished)
-
2 - Abstracts Book, Total energy methods to study the thermodynamics of surface processes, Dassia, Corfu, Greece, 25-27 June 1997 (unpublished).
-
(1997)
2 - Abstracts Book
-
-
Rantala, T.T.1
Rantala, T.S.2
Lantto, V.3
-
7
-
-
0036644702
-
2(1 1 0) studied by first-principles methods
-
2(1 1 0) studied by first-principles methods Surf. Sci. 513 2002 26 36
-
(2002)
Surf. Sci.
, vol.513
, pp. 26-36
-
-
Oviedo, J.1
Gillan, M.J.2
-
8
-
-
0030129363
-
2 (1 1 0) studied by first-principles calculations
-
2 (1 1 0) studied by first-principles calculations Surf. Sci. 350 1996 145 158
-
(1996)
Surf. Sci.
, vol.350
, pp. 145-158
-
-
Gillan, M.J.1
Goniakowski, J.2
-
10
-
-
0002187366
-
2(1 1 0): Cluster and periodic ab initio calculations
-
2(1 1 0): cluster and periodic ab initio calculations Surf. Sci. 461 2000 54 66
-
(2000)
Surf. Sci.
, vol.461
, pp. 54-66
-
-
Melle-Franco, M.1
Pachioni, G.2
-
14
-
-
0034089163
-
TEM characterisation of porous silicon
-
A. Parisini, R. Angelucci, L. Dori, A. Poggi, P. Maccagnani, G.C. Cardinali, G. Amato, G. Lerondel, and D. Midellino TEM characterisation of porous silicon Micron 31 2000 223 230
-
(2000)
Micron
, vol.31
, pp. 223-230
-
-
Parisini, A.1
Angelucci, R.2
Dori, L.3
Poggi, A.4
MacCagnani, P.5
Cardinali, G.C.6
Amato, G.7
Lerondel, G.8
Midellino, D.9
-
15
-
-
33646625793
-
-
and references therein
-
QCPE program 571 and references therein, Further information can be found at the web site http://www.qcpe.com.
-
QCPE Program 571
-
-
-
16
-
-
0001525733
-
Oxygen K near-edge fine structure: An electron-energy-loss investigation with comparisons to new theory for selected 3d transition-metal oxides
-
L.A. Grunes, R.D. Leapman, C.N. Wilker, R. Hoffmann, and A.B. Kunz Oxygen K near-edge fine structure: an electron-energy-loss investigation with comparisons to new theory for selected 3d transition-metal oxides Phys. Rev. B 25 1982 7157 7173
-
(1982)
Phys. Rev. B
, vol.25
, pp. 7157-7173
-
-
Grunes, L.A.1
Leapman, R.D.2
Wilker, C.N.3
Hoffmann, R.4
Kunz, A.B.5
-
18
-
-
0037171091
-
The SIESTA method for ab initio order-N materials simulation
-
J.M. Soler, E. Artacho, J.D. Gale, A. Garcia, J. Junquera, P. Ordejon, and D. Sanchez-Portal The SIESTA method for ab initio order-N materials simulation J. Phys. Condens. Matter 14 2002 2745 2779
-
(2002)
J. Phys. Condens. Matter
, vol.14
, pp. 2745-2779
-
-
Soler, J.M.1
Artacho, E.2
Gale, J.D.3
Garcia, A.4
Junquera, J.5
Ordejon, P.6
Sanchez-Portal, D.7
-
19
-
-
1242338825
-
Electron transport through molecules treated by LCAO-MO Green's functions with absorbing boundaries
-
A. Kopf, and P. Saalfrank Electron transport through molecules treated by LCAO-MO Green's functions with absorbing boundaries Chem. Phys. Lett. 386 2004 17 24
-
(2004)
Chem. Phys. Lett.
, vol.386
, pp. 17-24
-
-
Kopf, A.1
Saalfrank, P.2
-
20
-
-
36449003572
-
Calculation of the cumulative reaction probability via a discrete variable representation with absorbing boundary conditions
-
T. Seideman, and W.H. Miller Calculation of the cumulative reaction probability via a discrete variable representation with absorbing boundary conditions J. Chem. Phys. 96 1992 4412 4422
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 4412-4422
-
-
Seideman, T.1
Miller, W.H.2
|