-
2
-
-
7544240964
-
-
10.1016/j.surfre2004.09.002
-
X.-Y. Zhu, Surf. Sci. Rep. 56, 1 (2004). 10.1016/j.surfrep.2004.09.002
-
(2004)
Surf. Sci. Rep.
, vol.56
, pp. 1
-
-
Zhu, X.-Y.1
-
3
-
-
33846412227
-
Molecular transport junctions: Clearing mists
-
DOI 10.1002/adma.200601140
-
S. M. Lindsay and M. A. Ratner, Adv. Mater. 19, 23 (2007). 10.1002/adma.200601140 (Pubitemid 46144808)
-
(2007)
Advanced Materials
, vol.19
, Issue.1
, pp. 23-31
-
-
Lindsay, S.M.1
Ratner, M.A.2
-
4
-
-
0000119585
-
-
10.1103/PhysRevB.56.4722
-
M. Magoga and C. Joachim, Phys. Rev. B 56, 4722 (1997). 10.1103/PhysRevB.56.4722
-
(1997)
Phys. Rev. B
, vol.56
, pp. 4722
-
-
Magoga, M.1
Joachim, C.2
-
5
-
-
33745939884
-
Spontaneous oscillation of current in fullerene molecular junctions
-
DOI 10.1103/PhysRevB.74.045415
-
C.-C. Kaun, R. Jorn, and T. Seideman, Phys. Rev. B 74, 045415 (2006). 10.1103/PhysRevB.74.045415 (Pubitemid 44061157)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.74
, Issue.4
, pp. 045415
-
-
Kaun, C.-C.1
Jorn, R.2
Seideman, T.3
-
6
-
-
33845303987
-
Analysis on the contribution of molecular orbitals to the conductance of molecular electronic devices
-
DOI 10.1063/1.2388272
-
R. Li, S. Hou, J. Zhang, Z. Qian, Z. Shen, and X. Zhao, J. Chem. Phys. 125, 194113 (2006). 10.1063/1.2388272 (Pubitemid 44867326)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.19
, pp. 194113
-
-
Li, R.1
Hou, S.2
Zhang, J.3
Qian, Z.4
Shen, Z.5
Zhao, X.6
-
7
-
-
49349111489
-
-
10.1063/1.2958275
-
G. C. Solomon, D. Q. Andrews, T. Hansen, R. H. Goldsmith, M. R. Wasielewski, R. P. Van Duyne, and M. A. Ratner, J. Chem. Phys. 129, 054701 (2008). 10.1063/1.2958275
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 054701
-
-
Solomon, G.C.1
Andrews, D.Q.2
Hansen, T.3
Goldsmith, R.H.4
Wasielewski, M.R.5
Van Duyne, R.P.6
Ratner, M.A.7
-
8
-
-
47749138642
-
Orbital views of the electron transport in molecular devices
-
DOI 10.1021/ja800638t
-
K. Yoshizawa, T. Tada, and A. Staykov, J. Am. Chem. Soc. 130, 9406 (2008). 10.1021/ja800638t (Pubitemid 352031150)
-
(2008)
Journal of the American Chemical Society
, vol.130
, Issue.29
, pp. 9406-9413
-
-
Yoshizawa, K.1
Tada, T.2
Staykov, A.3
-
9
-
-
58149493247
-
-
10.1002/cphc.200800591
-
G. C. Solomon, D. Q. Andrews, R. P. Van Duyne, and M. A. Ratner, Chem. Phys. Chem. 10, 257 (2009). 10.1002/cphc.200800591
-
(2009)
Chem. Phys. Chem.
, vol.10
, pp. 257
-
-
Solomon, G.C.1
Andrews, D.Q.2
Van Duyne, R.P.3
Ratner, M.A.4
-
10
-
-
68249120133
-
-
10.1063/1.3182849
-
P. W. Fowler, B. T. Pickup, T. Z. Todorova, and W. Myrvold, J. Chem. Phys. 131, 044104 (2009). 10.1063/1.3182849
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 044104
-
-
Fowler, P.W.1
Pickup, B.T.2
Todorova, T.Z.3
Myrvold, W.4
-
11
-
-
74949139306
-
-
10.1021/ja9084012
-
C.-H. Ko, M.-J. Huang, M.-D. Fu, and C.-H. Chen, J. Am. Chem. Soc. 132, 756 (2010). 10.1021/ja9084012
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 756
-
-
Ko, C.-H.1
Huang, M.-J.2
Fu, M.-D.3
Chen, C.-H.4
-
13
-
-
77955333850
-
-
10.1103/PhysRevLett.105.066801
-
M. C. Lennartz, V. Caciuc, N. Atodiresei, S. Karthuser, and S. Blgel, Phys. Rev. Lett. 105, 066801 (2010). 10.1103/PhysRevLett.105.066801
-
(2010)
Phys. Rev. Lett.
, vol.105
, pp. 066801
-
-
Lennartz, M.C.1
Caciuc, V.2
Atodiresei, N.3
Karthuser, S.4
Blgel, S.5
-
14
-
-
0001091430
-
Molecule-interface coupling effects on electronic transport in molecular wires
-
DOI 10.1063/1.477116, PII S0021960698703368
-
S. N. Yaliraki and M. A. Ratner, J. Chem. Phys. 109, 5036 (1998). 10.1063/1.477116 (Pubitemid 128672155)
-
(1998)
Journal of Chemical Physics
, vol.109
, Issue.12
, pp. 5036-5043
-
-
Yaliraki, S.N.1
Ratner, M.A.2
-
16
-
-
0035914060
-
Molecular electronics: It's all about contacts
-
DOI 10.1126/science.1065708
-
K. W. Hipps, Science 294, 536 (2001). 10.1126/science.1065708 (Pubitemid 32999542)
-
(2001)
Science
, vol.294
, Issue.5542
, pp. 536-537
-
-
Hipps, K.W.1
-
17
-
-
0034837070
-
A theoretical analysis of metal-molecule contacts [21]
-
DOI 10.1021/ja015661q
-
J. M. Seminario, C. E. de la Cruz, and P. A. Derosa, J. Am. Chem. Soc. 123, 5616 (2001). 10.1021/ja015661q (Pubitemid 32888547)
-
(2001)
Journal of the American Chemical Society
, vol.123
, Issue.23
, pp. 5616-5617
-
-
Seminario, J.M.1
De La Cruz, C.E.2
Derosa, P.A.3
-
19
-
-
20544465081
-
Overcoming computational uncertainties to reveal chemical sensitivity in single molecule conduction calculations
-
DOI 10.1063/1.1926280, 224502
-
G. C. Solomon, J. R. Reimers, and N. S. Hush, J. Chem. Phys. 122, 224502 (2005). 10.1063/1.1926280 (Pubitemid 40844892)
-
(2005)
Journal of Chemical Physics
, vol.122
, Issue.22
, pp. 1-7
-
-
Solomon, G.C.1
Reimers, J.R.2
Hush, N.S.3
-
20
-
-
34248150838
-
Toward control of the metal-organic interfacial electronic structure in molecular electronics: A first-principles study on self-assembled monolayers of π-conjugated molecules on noble metals
-
DOI 10.1021/nl0629106
-
G. Heimel, L. Romaner, E. Zojer, and J.-L. Brédas, Nano Lett. 7, 932 (2007). 10.1021/nl0629106 (Pubitemid 46717736)
-
(2007)
Nano Letters
, vol.7
, Issue.4
, pp. 932-940
-
-
Heimel, G.1
Romaner, L.2
Zojer, E.3
Bredas, J.-L.4
-
21
-
-
37549025069
-
-
10.1021/ja0773857
-
Y. S. Park, A. C. Whalley, M. Kamenetska, M. L. Steigerwald, M. S. Hybertsen, C. Nuckolls, and L. Venkataraman, J. Am. Chem. Soc. 129, 15768 (2007). 10.1021/ja0773857
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 15768
-
-
Park, Y.S.1
Whalley, A.C.2
Kamenetska, M.3
Steigerwald, M.L.4
Hybertsen, M.S.5
Nuckolls, C.6
Venkataraman, L.7
-
23
-
-
77951550074
-
-
10.1103/PhysRevLett.104.176802
-
Y. F. Wang, J. Krger, R. Berndt, H. Vzquez, M. Brandbyge, and M. Paulsson, Phys. Rev. Lett. 104, 176802 (2010). 10.1103/PhysRevLett.104.176802
-
(2010)
Phys. Rev. Lett.
, vol.104
, pp. 176802
-
-
Wang, Y.F.1
Krger, J.2
Berndt, R.3
Vzquez, H.4
Brandbyge, M.5
Paulsson, M.6
-
25
-
-
77954867420
-
-
10.1103/PhysRevB.81.085318
-
H. Kondo, J. Nara, and T. Ohno, Phys. Rev. B 81, 085318 (2010). 10.1103/PhysRevB.81.085318
-
(2010)
Phys. Rev. B
, vol.81
, pp. 085318
-
-
Kondo, H.1
Nara, J.2
Ohno, T.3
-
27
-
-
78650597126
-
-
10.1103/PhysRevLett.105.266102
-
F. Mohn, J. Repp, L. Gross, G. Meyer, M. S. Dyer, and M. Persson, Phys. Rev. Lett. 105, 266102 (2010). 10.1103/PhysRevLett.105.266102
-
(2010)
Phys. Rev. Lett.
, vol.105
, pp. 266102
-
-
Mohn, F.1
Repp, J.2
Gross, L.3
Meyer, G.4
Dyer, M.S.5
Persson, M.6
-
28
-
-
78650621419
-
-
10.1038/nnano.2010.215
-
G. Schull, T. Frederiksen, A. Arnau, D. Snchez-Portal, and R. Berndt, Nature Nanotechnol. 6, 23 (2011). 10.1038/nnano.2010.215
-
(2011)
Nature Nanotechnol.
, vol.6
, pp. 23
-
-
Schull, G.1
Frederiksen, T.2
Arnau, A.3
Snchez-Portal, D.4
Berndt, R.5
-
29
-
-
22944463032
-
The structure, energetics, and nature of the chemical bonding of phenylthiol adsorbed on the Au(111) surface: Implications for density-functional calculations of molecular-electronic conduction
-
DOI 10.1063/1.1850455, 094708
-
A. Bili, J. R. Reimers, and N. S. Hush, J. Chem. Phys. 122, 094708 (2005). 10.1063/1.1850455 (Pubitemid 41046265)
-
(2005)
Journal of Chemical Physics
, vol.122
, Issue.9
, pp. 1-15
-
-
Bilic, A.1
Reimers, J.R.2
Hush, N.S.3
-
30
-
-
57049186564
-
-
10.1021/jp8036395
-
E. de la Llave, A. Ricci, E. J. Calvo, and D. A. Scherlis, J. Phys. Chem. C 112, 17611 (2008). 10.1021/jp8036395
-
(2008)
J. Phys. Chem. C
, vol.112
, pp. 17611
-
-
De La Llave, E.1
Ricci, A.2
Calvo, E.J.3
Scherlis, D.A.4
-
31
-
-
0033098173
-
-
10.1103/RevModPhys.71.S306
-
Y. Imry and R. Landauer, Rev. Mod. Phys. 71, S306 (1999). 10.1103/RevModPhys.71.S306
-
(1999)
Rev. Mod. Phys.
, vol.71
, pp. 306
-
-
Imry, Y.1
Landauer, R.2
-
32
-
-
33745212790
-
-
10.1016/0039-6028(71)90115-4
-
D. Kalkstein and P. Soven, Surf. Sci. 26, 85 (1971). 10.1016/0039- 6028(71)90115-4
-
(1971)
Surf. Sci.
, vol.26
, pp. 85
-
-
Kalkstein, D.1
Soven, P.2
-
34
-
-
77956254763
-
-
10.1063/1.3447960
-
M. G. Reuter, J. Chem. Phys. 133, 034703 (2010). 10.1063/1.3447960
-
(2010)
J. Chem. Phys.
, vol.133
, pp. 034703
-
-
Reuter, M.G.1
-
35
-
-
0001084050
-
-
10.1016/0039-6028(76)90475-1
-
N. R. Burke, Surf. Sci. 58, 349 (1976). 10.1016/0039-6028(76)90475-1
-
(1976)
Surf. Sci.
, vol.58
, pp. 349
-
-
Burke, N.R.1
-
36
-
-
33749005863
-
-
10.1103/RevModPhys.60.601
-
R. Hoffmann, Rev. Mod. Phys. 60, 601 (1988). 10.1103/RevModPhys.60.601
-
(1988)
Rev. Mod. Phys.
, vol.60
, pp. 601
-
-
Hoffmann, R.1
-
38
-
-
79955403385
-
-
(E) is formally an operator; however, since the molecular wire has only one state (), we often consider (E) to be the scalar (E). The six (E) listed in Table and Eq., as written, are already the scalar values
-
(E) is formally an operator; however, since the molecular wire has only one state (), we often consider (E) to be the scalar (E). The six (E) listed in Table and Eq., as written, are already the scalar values.
-
-
-
-
39
-
-
79955373885
-
-
We neglect molecular level shifting by setting Re (E)=0
-
We neglect molecular level shifting by setting Re (E)=0.
-
-
-
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