-
1
-
-
27144434143
-
-
Bart, J. V.; Costantini, G.; Kern, K. Nature 2005, 437, 671-679.
-
(2005)
Nature
, vol.437
, pp. 671-679
-
-
Bart, J.V.1
Costantini, G.2
Kern, K.3
-
3
-
-
0141754156
-
-
Nazin, G. V.; Qiu, X. H.; Ho, W. Science 2003, 302, 77-81.
-
(2003)
Science
, vol.302
, pp. 77-81
-
-
Nazin, G.V.1
Qiu, X.H.2
Ho, W.3
-
4
-
-
0037070560
-
-
Hipps, K. W.; Scudiero, L.; Barlow, D. E.; Cooke, M. P. J. Am. Chem. Soc. 2002, 124, 2126-2127.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 2126-2127
-
-
Hipps, K.W.1
Scudiero, L.2
Barlow, D.E.3
Cooke, M.P.4
-
6
-
-
33846689886
-
-
Oison, V.; Koudia, M.; Abel, M.; Porte, L. Phys. Rev. B 2007, 75, 035428.
-
(2007)
Phys. Rev. B
, vol.75
, pp. 035428
-
-
Oison, V.1
Koudia, M.2
Abel, M.3
Porte, L.4
-
7
-
-
67651124899
-
-
Song, F.; Wells, J. W.; Handrup, K.; Li, Z. S.; Bao, S. N.; Schulte, K.; Ahola-Tuomi, M.; Mayor, L. C.; Swarbrick, J. C.; Perkins, E. W.; Gammelgaard, L.; Hofmann, Ph. Nat. Nanotechnol. 2009, 4, 373-376.
-
(2009)
Nat. Nanotechnol.
, vol.4
, pp. 373-376
-
-
Song, F.1
Wells, J.W.2
Handrup, K.3
Li, Z.S.4
Bao, S.N.5
Schulte, K.6
Ahola-Tuomi, M.7
Mayor, L.C.8
Swarbrick, J.C.9
Perkins, E.W.10
Gammelgaard, L.11
Hofmann, Ph.12
-
8
-
-
65549133635
-
-
Calabrese, A.; Floreano, L.; Verdini, A.; Mariani, C.; Betti, M. G. Phys. Rev. B 2009, 79, 115446.
-
(2009)
Phys. Rev. B
, vol.79
, pp. 115446
-
-
Calabrese, A.1
Floreano, L.2
Verdini, A.3
Mariani, C.4
Betti, M.G.5
-
9
-
-
61849117936
-
-
Vitali, L.; Fabris, S.; Mosca Conte, A.; Brink, S.; Ruben, M.; Baroni, S.; Kern, K. Nano Lett. 2008, 8, 3364-3368.
-
(2008)
Nano Lett.
, vol.8
, pp. 3364-3368
-
-
Vitali, L.1
Fabris, S.2
Mosca Conte, A.3
Brink, S.4
Ruben, M.5
Baroni, S.6
Kern, K.7
-
10
-
-
0034248876
-
-
Kalyuzhny, G.; Vaskevich, A.; Ashkenasy, G.; Shanzer, A.; Rubinstein, I. J. Phys. Chem. B 2000, 104, 8238-8244.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 8238-8244
-
-
Kalyuzhny, G.1
Vaskevich, A.2
Ashkenasy, G.3
Shanzer, A.4
Rubinstein, I.5
-
11
-
-
0000717253
-
-
Bao, Z.; Lovinger, A. J.; Dodabalapur, A. Appl. Phys. Lett. 1996, 69, 3066-3068.
-
(1996)
Appl. Phys. Lett.
, vol.69
, pp. 3066-3068
-
-
Bao, Z.1
Lovinger, A.J.2
Dodabalapur, A.3
-
13
-
-
33745799520
-
-
Koudia, M.; Abel, M.; Maurel, C.; Bliek, A.; Catalin, D.; Mossoyan, M.; Mossoyan, J.-C.; Porte, L. J. Phys. Chem. B 2006, 110, 10058-10062.
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 10058-10062
-
-
Koudia, M.1
Abel, M.2
Maurel, C.3
Bliek, A.4
Catalin, D.5
Mossoyan, M.6
Mossoyan, J.-C.7
Porte, L.8
-
14
-
-
34548023630
-
-
Manandhar, K.; Ellis, T.; Park, K. T.; Cai, T.; Song, Z.; Hrbek, J. Surf. Sci. 2007, 601, 3623-3631.
-
(2007)
Surf. Sci.
, vol.601
, pp. 3623-3631
-
-
Manandhar, K.1
Ellis, T.2
Park, K.T.3
Cai, T.4
Song, Z.5
Hrbek, J.6
-
15
-
-
37649029996
-
-
Kemerink, M.; Alvarado, S. F.; Muller, P.; Koenraad, P. M.; Salemink, H. W. M.; Wolter, J. H.; Janssen, R. A. J. Phys. Rev. B 2004, 70, 045202.
-
(2004)
Phys. Rev. B
, vol.70
, pp. 045202
-
-
Kemerink, M.1
Alvarado, S.F.2
Muller, P.3
Koenraad, P.M.4
Salemink, H.W.M.5
Wolter, J.H.6
Janssen, R.A.J.7
-
16
-
-
33845316437
-
-
Dougherty, D. B.; Maksymovych, P.; Lee, J.; Yates, J. T., Jr. Phys. Rev. Lett. 2006, 97, 236806.
-
(2006)
Phys. Rev. Lett.
, vol.97
, pp. 236806
-
-
Dougherty, D.B.1
Maksymovych, P.2
Lee, J.3
Yates Jr., J.T.4
-
17
-
-
75449087478
-
-
Quantum-ESPRESSO is a community project for high-quality quantum-simulation software, based on density functional theory and coordinated by Paolo Giannozzi
-
Quantum-ESPRESSO is a community project for high-quality quantum-simulation software, based on density functional theory and coordinated by Paolo Giannozzi. See: www.quantum-espresso.org.
-
-
-
-
19
-
-
4243943295
-
-
Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865-3868.
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
20
-
-
0000123953
-
-
Alvarado, S. F.; Seidler, P. F.; Lidzey, D. G.; Bradley, D. D. C. Phys. Rev. Lett. 1998, 81, 1082-1085.
-
(1998)
Phys. Rev. Lett.
, vol.81
, pp. 1082-1085
-
-
Alvarado, S.F.1
Seidler, P.F.2
Lidzey, D.G.3
Bradley, D.D.C.4
-
21
-
-
33344468051
-
-
Gerlach, A.; Schreiber, F.; Sellner, S.; Dosch, H.; Vartanyants, I. A.; Cowie, B. C. C.; Lee, T.-L.; Zegenhagen, J. Phys. Rev. B 2005, 71, 205425.
-
(2005)
Phys. Rev. B
, vol.71
, pp. 205425
-
-
Gerlach, A.1
Schreiber, F.2
Sellner, S.3
Dosch, H.4
Vartanyants, I.A.5
Cowie, B.C.C.6
Lee, T.-L.7
Zegenhagen, J.8
-
24
-
-
1442263798
-
-
See also: Calzolari, A.; Marzari, N.; Souza, I.; Buongiorno Nardelli, M. Phys. Rev. B 2004, 69, 035108.
-
(2004)
Phys. Rev. B
, vol.69
, pp. 035108
-
-
Calzolari, A.1
Marzari, N.2
Souza, I.3
Buongiorno Nardelli, M.4
-
25
-
-
0038143267
-
-
Peisert, H.; Knupfer, M.; Schwieger, T.; Fuentes, G. G.; Olligs, D.; Fink, J. J. Appl. Phys. 2003, 93, 9683-9692.
-
(2003)
J. Appl. Phys.
, vol.93
, pp. 9683-9692
-
-
Peisert, H.1
Knupfer, M.2
Schwieger, T.3
Fuentes, G.G.4
Olligs, D.5
Fink, J.6
-
26
-
-
0032475420
-
-
Thalladi, V. R.; Weiss, H.-C.; Bläser, D.; Boese, R.; Nangia, A.; Desiraju, G. R. J. Am. Chem. Soc. 1998, 120, 8702-8710.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 8702-8710
-
-
Thalladi, V.R.1
Weiss, H.-C.2
Bläser, D.3
Boese, R.4
Nangia, A.5
Desiraju, G.R.6
-
30
-
-
75449090572
-
-
Here, the symmetry analysis of molecular orbitals confirms the identification of the ZnPc LUMO state in the STM (and DOS) images
-
The amount of Zn3d contribution to LUMO largely depends on the choice of the adopted XC functional. Different results are reported, for instance, in refs 28 and 32 or Ueno, L. T.; Machado, A. E. H.; Machado, F. B. C. J. Mol. Struct. (THEOCHEM) 2009, 899, 7178. Here, the symmetry analysis of molecular orbitals confirms the identification of the ZnPc LUMO state in the STM (and DOS) images.
-
(2009)
J. Mol. Struct. (THEOCHEM)
, vol.899
, pp. 7178
-
-
Ueno, L.T.1
MacHado, A.E.H.2
MacHado, F.B.C.3
-
31
-
-
0142124361
-
-
Eremtchenko, M.; Schaefer, J. A.; Tautz, F. S. Nature 2003, 425, 602-605.
-
(2003)
Nature
, vol.425
, pp. 602-605
-
-
Eremtchenko, M.1
Schaefer, J.A.2
Tautz, F.S.3
-
32
-
-
34547419010
-
-
Ferretti, A.; Baldacchini, C.; Calzolari, A.; Di Felice, R.; Ruini, A.; Molinari, E.; Betti, M. G. Phys. Rev. Lett. 2007, 99, 046802.
-
(2007)
Phys. Rev. Lett.
, vol.99
, pp. 046802
-
-
Ferretti, A.1
Baldacchini, C.2
Calzolari, A.3
Di Felice, R.4
Ruini, A.5
Molinari, E.6
Betti, M.G.7
-
33
-
-
84961971217
-
-
Nemykin, V. N.; Hadt, R. G.; Belosludov, R. V.; Mizuseki, H.; Kawazoe, Y. J. Phys. Chem. A 2007, 111, 12901-12913.
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 12901-12913
-
-
Nemykin, V.N.1
Hadt, R.G.2
Belosludov, R.V.3
Mizuseki, H.4
Kawazoe, Y.5
-
34
-
-
69549086153
-
-
Palammo, M.; Hogan, C.; Sottile, F.; Bagalà, P.; Rubio, A. J. Chem. Phys. 2009, 131, 084102.
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 084102
-
-
Palammo, M.1
Hogan, C.2
Sottile, F.3
Bagalà, P.4
Rubio, A.5
-
35
-
-
34748840211
-
-
Calzolari, A.; Ferretti, A.; Buongiorno Nardelli, M. Nanotechnology 2007, 18, 424013.
-
(2007)
Nanotechnology
, vol.18
, pp. 424013
-
-
Calzolari, A.1
Ferretti, A.2
Buongiorno Nardelli, M.3
-
36
-
-
42949170910
-
-
Marom, N.; Hod, O.; Scuseria, G. E.; Kronik, L. J. Chem. Phys. 2008, 128, 164107.
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 164107
-
-
Marom, N.1
Hod, O.2
Scuseria, G.E.3
Kronik, L.4
-
38
-
-
3442887363
-
-
Liozzi, L.; Santucci, S.; La Rosa, S.; Delley, B.; Picozzi, S. J. Chem. Phys. 2004, 121, 1883-1889.
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 1883-1889
-
-
Liozzi, L.1
Santucci, S.2
La Rosa, S.3
Delley, B.4
Picozzi, S.5
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