-
1
-
-
52949129065
-
-
1 For a recent review, see, in, edited by (Oxford University Press, Oxford), Chap. 4
-
For a recent review, see G. Kirczenow, in The Oxford Handbook of Nanoscience and Technology, Volume I: Basic Aspects, edited by A. V. Narlikar and Y. Y. Fu (Oxford University Press, Oxford, 2010), Chap. 4.
-
(2010)
The Oxford Handbook of Nanoscience and Technology, Volume I: Basic Aspects
-
-
Kirczenow, G.1
Narlikar, A.V.2
Fu, Y.Y.3
-
3
-
-
80052811791
-
-
NALEFD 1530-6984 10.1021/nl201777m
-
Y. Kim, T. Pietsch, A. Erbe, W. Belzig, and E. Scheer, Nano Lett. 11, 3734 (2011). NALEFD 1530-6984 10.1021/nl201777m
-
(2011)
Nano Lett.
, vol.11
, pp. 3734
-
-
Kim, Y.1
Pietsch, T.2
Erbe, A.3
Belzig, W.4
Scheer, E.5
-
4
-
-
0346434145
-
Measurements of Single-Molecule Electromechanical Properties
-
DOI 10.1021/ja038949j
-
B. Xu, X. Xiao, and N. J. Tao, J. Am. Chem. Soc. 125, 16164 (2003). JACSAT 0002-7863 10.1021/ja038949j (Pubitemid 38020623)
-
(2003)
Journal of the American Chemical Society
, vol.125
, Issue.52
, pp. 16164-16165
-
-
Xu, B.1
Xiao, X.2
Tao, N.J.3
-
5
-
-
35848935011
-
Single molecule junctions formed via Au-thiol contact: Stability and breakdown mechanism
-
DOI 10.1021/ja074456t
-
Z. Huang, F. Chen, P. A. Bennett, and N. Tao, J. Am. Chem. Soc. 129, 13225 (2007). JACSAT 0002-7863 10.1021/ja074456t (Pubitemid 350058363)
-
(2007)
Journal of the American Chemical Society
, vol.129
, Issue.43
, pp. 13225-13231
-
-
Huang, Z.1
Chen, F.2
Bennett, P.A.3
Tao, N.4
-
6
-
-
48449098052
-
-
NALEFD 1530-6984 10.1021/nl080580e
-
J. Hihath, C. R. Arroyo, G. Rubio-Bollinger, N. Tao, and N. Agraït, Nano. Lett. 8, 1673 (2008). NALEFD 1530-6984 10.1021/nl080580e
-
(2008)
Nano. Lett.
, vol.8
, pp. 1673
-
-
Hihath, J.1
Arroyo, C.R.2
Rubio-Bollinger, G.3
Tao, N.4
Agraït, N.5
-
7
-
-
33750713068
-
Single molecule electron transport junctions: Charging and geometric effects on conductance
-
DOI 10.1063/1.2363182
-
D. Q. Andrews, R. Cohen, R. P. van Duyne, and M. A. Ratner, J. Chem. Phys. 125, 174718 (2006). JCPSA6 0021-9606 10.1063/1.2363182 (Pubitemid 44707861)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.17
, pp. 174718
-
-
Andrews, D.Q.1
Cohen, R.2
Van Duyne, R.P.3
Ratner, M.A.4
-
8
-
-
22944437115
-
Contact atomic structure and electron transport through molecules
-
DOI 10.1063/1.1851496, 074704
-
S. H. Ke, H. U. Baranger, and W. Yang, J. Chem. Phys. 122, 074704 (2005). JCPSA6 0021-9606 10.1063/1.1851496 (Pubitemid 41042239)
-
(2005)
Journal of Chemical Physics
, vol.122
, Issue.7
, pp. 1-8
-
-
Ke, S.-H.1
Baranger, H.U.2
Yang, W.3
-
9
-
-
33751241442
-
Stretching and breaking of a molecular junction
-
DOI 10.1002/smll.200600054
-
L. Romaner, G. Heimel, M. Gruber, J. L. Brédas, and E. Zojer, Small 2, 1468 (2006). 1613-6810 10.1002/smll.200600054 (Pubitemid 44786893)
-
(2006)
Small
, vol.2
, Issue.12
, pp. 1468-1476
-
-
Romaner, L.1
Heimel, G.2
Gruber, M.3
Bredas, J.-L.4
Zojer, E.5
-
10
-
-
34447522235
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.76.035415
-
Z. Li and D. S. Kosov, Phys. Rev. B 76, 035415 (2007). PRBMDO 1098-0121 10.1103/PhysRevB.76.035415
-
(2007)
Phys. Rev. B
, vol.76
, pp. 035415
-
-
Li, Z.1
Kosov, D.S.2
-
11
-
-
34547510314
-
Efficient atomic self-interaction correction scheme for nonequilibrium quantum transport
-
DOI 10.1103/PhysRevLett.99.056801
-
C. Toher and S. Sanvito, Phys. Rev. Lett. 99, 056801 (2007). PRLTAO 0031-9007 10.1103/PhysRevLett.99.056801 (Pubitemid 47187111)
-
(2007)
Physical Review Letters
, vol.99
, Issue.5
, pp. 056801
-
-
Toher, C.1
Sanvito, S.2
-
12
-
-
79951921790
-
-
1936-0851 10.1021/nn101628w
-
R. B. Pontes, A. R. Rocha, S. Sanvito, A. Fazzio, and A. J. Roque da Silva, ACS Nano 5, 795 (2011). 1936-0851 10.1021/nn101628w
-
(2011)
ACS Nano
, vol.5
, pp. 795
-
-
Pontes, R.B.1
Rocha, A.R.2
Sanvito, S.3
Fazzio, A.4
Roque Da Silva, A.J.5
-
13
-
-
84876728580
-
-
2040-3364 10.1039/c3nr00459g
-
W. R. French, C. R. Iacovella, I. Rungger, A. M. Souza, S. Sanvito, and P. T. Cummings, Nanoscale 5, 3654 (2013). 2040-3364 10.1039/c3nr00459g
-
(2013)
Nanoscale
, vol.5
, pp. 3654
-
-
French, W.R.1
Iacovella, C.R.2
Rungger, I.3
Souza, A.M.4
Sanvito, S.5
Cummings, P.T.6
-
14
-
-
79953307258
-
-
JCPSA6 0021-9606 10.1063/1.3571473
-
F. Demir and G. Kirczenow, J. Chem. Phys. 134, 121103 (2011). JCPSA6 0021-9606 10.1063/1.3571473
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 121103
-
-
Demir, F.1
Kirczenow, G.2
-
15
-
-
84855544511
-
-
JCPSA6 0021-9606 10.1063/1.3671455
-
F. Demir and G. Kirczenow, J. Chem. Phys. 136, 014703 (2012). JCPSA6 0021-9606 10.1063/1.3671455
-
(2012)
J. Chem. Phys.
, vol.136
, pp. 014703
-
-
Demir, F.1
Kirczenow, G.2
-
16
-
-
84866122650
-
-
JCPSA6 0021-9606 10.1063/1.4748379
-
F. Demir and G. Kirczenow, J. Chem. Phys. 137, 094703 (2012). JCPSA6 0021-9606 10.1063/1.4748379
-
(2012)
J. Chem. Phys.
, vol.137
, pp. 094703
-
-
Demir, F.1
Kirczenow, G.2
-
17
-
-
84894600971
-
-
the gaussian 09 Revision: A.02 computer code was used
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, the gaussian 09 Revision: A.02 computer code was used.
-
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
-
19
-
-
41549089988
-
-
19a, 165403 () PRBMDO 1098-0121 10.1103/PhysRevB.77.165403; 19b, Nano Lett. 10, 1158 (2010). 1530-6984 NALEFD 10.1021/nl903266d
-
D. M. Cardamone and G. Kirczenow, Phys. Rev. B 77, 165403 (2008) PRBMDO 1098-0121 10.1103/PhysRevB.77.165403; 19b D. M. Cardamone and G. Kirczenow, Nano Lett. 10, 1158 (2010). 1530-6984 NALEFD 10.1021/nl903266d
-
(2008)
Phys. Rev. B
, vol.77
-
-
Cardamone, D.M.1
Kirczenow, G.2
Cardamone, D.M.3
Kirczenow, G.4
-
20
-
-
29644443067
-
-
20a, 245306 () PRBMDO 1098-0121 10.1103/PhysRevB.72.245306; 20b, Phys. Rev. B 80, 035309 (2009). 1098-0121 PRBMDO 10.1103/PhysRevB.80.035309
-
G. Kirczenow, P. G. Piva, and R. A. Wolkow, Phys. Rev. B 72, 245306 (2005) PRBMDO 1098-0121 10.1103/PhysRevB.72.245306; 20b G. Kirczenow, P. G. Piva, and R. A. Wolkow, Phys. Rev. B 80, 035309 (2009). 1098-0121 PRBMDO 10.1103/PhysRevB.80.035309
-
(2005)
Phys. Rev. B
, vol.72
-
-
Kirczenow, G.1
Piva, P.G.2
Wolkow, R.A.3
Kirczenow, G.4
Piva, P.G.5
Wolkow, R.A.6
-
21
-
-
51149103283
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.101.106801
-
P. G. Piva, R. A. Wolkow, and G. Kirczenow, Phys. Rev. Lett. 101, 106801 (2008). PRLTAO 0031-9007 10.1103/PhysRevLett.101.106801
-
(2008)
Phys. Rev. Lett.
, vol.101
, pp. 106801
-
-
Piva, P.G.1
Wolkow, R.A.2
Kirczenow, G.3
-
22
-
-
29644438830
-
-
22a, 155429 () PRBMDO 1098-0121 10.1103/PhysRevB.72.155429; 22b, Nano Lett. 6, 1274 (2006). 1530-6984 NALEFD 10.1021/nl060040m
-
H. Dalgleish and G. Kirczenow, Phys. Rev. B 72, 155429 (2005) PRBMDO 1098-0121 10.1103/PhysRevB.72.155429; 22b H. Dalgleish and G. Kirczenow, Nano Lett. 6, 1274 (2006). 1530-6984 NALEFD 10.1021/nl060040m
-
(2005)
Phys. Rev. B
, vol.72
-
-
Dalgleish, H.1
Kirczenow, G.2
Dalgleish, H.3
Kirczenow, G.4
-
23
-
-
33846426062
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.75.045428
-
G. Kirczenow, Phys. Rev. B 75, 045428 (2007). PRBMDO 1098-0121 10.1103/PhysRevB.75.045428
-
(2007)
Phys. Rev. B
, vol.75
, pp. 045428
-
-
Kirczenow, G.1
-
24
-
-
82455220932
-
-
24a, 180408 (R) () PRBMDO 1098-0121 10.1103/PhysRevB.84.180408; 24b, Phys. Rev. B 85, 245415 (2012) 1098-0121 PRBMDO 10.1103/PhysRevB.85.245415; 24c, Phys. Rev. B 87, 121403 (R) (2013). 10.1103/PhysRevB.87.121403
-
F. R. Renani and G. Kirczenow, Phys. Rev. B 84, 180408 (R) (2011) PRBMDO 1098-0121 10.1103/PhysRevB.84.180408; 24b F. R. Renani and G. Kirczenow, Phys. Rev. B 85, 245415 (2012) 1098-0121 PRBMDO 10.1103/PhysRevB.85.245415; 24c F. R. Renani and G. Kirczenow, Phys. Rev. B 87, 121403 (R) (2013). 10.1103/PhysRevB.87.121403
-
(2011)
Phys. Rev. B
, vol.84
-
-
Renani, F.R.1
Kirczenow, G.2
Renani, F.R.3
Kirczenow, G.4
Renani, F.R.5
Kirczenow, G.6
-
26
-
-
33947092746
-
-
26a The version of extended Hückel theory used was that of JACSAT 0002-7863 10.1021/ja00480a005, 3686 (); 26b as implemented in the yaehmop numerical package by (Source-Forge, Fremont, CA, 2001)
-
The version of extended Hückel theory used was that of JACSAT 0002-7863 10.1021/ja00480a005 J. H. Ammeter, H.-B. Bürgi, J. C. Thibeault, and R. Hoffman, J. Am. Chem. Soc. 100, 3686 (1978); 26b as implemented in the yaehmop numerical package by G. A. Landrum and W. V. Glassey (Source-Forge, Fremont, CA, 2001).
-
(1978)
J. Am. Chem. Soc.
, vol.100
-
-
Ammeter, J.H.1
Bürgi, H.-B.2
Thibeault, J.C.3
Hoffman, R.4
Landrum, G.A.5
Glassey, W.V.6
-
27
-
-
0037135770
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.89.086802
-
J. G. Kushmerick, D. B. Holt, J. C. Yang, J. Naciri, M. H. Moore, and R. Shashidhar, Phys. Rev. Lett. 89, 086802 (2002). PRLTAO 0031-9007 10.1103/PhysRevLett.89.086802
-
(2002)
Phys. Rev. Lett.
, vol.89
, pp. 086802
-
-
Kushmerick, J.G.1
Holt, D.B.2
Yang, J.C.3
Naciri, J.4
Moore, M.H.5
Shashidhar, R.6
-
28
-
-
0031221461
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.79.2530
-
S. Datta, W. D. Tian, S. H. Hong, R. Reifenberger, J. I. Henderson, and C. P. Kubiak, Phys. Rev. Lett. 79, 2530 (1997). PRLTAO 0031-9007 10.1103/PhysRevLett.79.2530
-
(1997)
Phys. Rev. Lett.
, vol.79
, pp. 2530
-
-
Datta, S.1
Tian, W.D.2
Hong, S.H.3
Reifenberger, R.4
Henderson, J.I.5
Kubiak, C.P.6
-
29
-
-
19044374921
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.87.269701
-
E. G. Emberly and G. Kirczenow, Phys. Rev. Lett. 87, 269701 (2001). PRLTAO 0031-9007 10.1103/PhysRevLett.87.269701
-
(2001)
Phys. Rev. Lett.
, vol.87
, pp. 269701
-
-
Emberly, E.G.1
Kirczenow, G.2
-
30
-
-
0000139628
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.64.235412
-
E. G. Emberly and G. Kirczenow, Phys. Rev. B 64, 235412 (2001). PRBMDO 0163-1829 10.1103/PhysRevB.64.235412
-
(2001)
Phys. Rev. B
, vol.64
, pp. 235412
-
-
Emberly, E.G.1
Kirczenow, G.2
-
31
-
-
10644250257
-
-
B864. PHRVAO 0031-899X 10.1103/PhysRev.136.B864
-
P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964). PHRVAO 0031-899X 10.1103/PhysRev.136.B864
-
(1964)
Phys. Rev.
, vol.136
-
-
Hohenberg, P.1
Kohn, W.2
-
32
-
-
0042113153
-
-
A1133. PHRVAO 0031-899X 10.1103/PhysRev.140.A1133
-
W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). PHRVAO 0031-899X 10.1103/PhysRev.140.A1133
-
(1965)
Phys. Rev.
, vol.140
-
-
Kohn, W.1
Sham, L.J.2
-
33
-
-
38949169781
-
Density functional calculations of nanoscale conductance
-
DOI 10.1088/0953-8984/20/8/083203, PII S0953898408260510
-
M. Koentopp, C. Chang, K. Burke, and R. Car, J. Phys.: Condens. Matter 20, 083203 (2008). JCOMEL 0953-8984 10.1088/0953-8984/20/8/083203 (Pubitemid 351229844)
-
(2008)
Journal of Physics Condensed Matter
, vol.20
, Issue.8
, pp. 083203
-
-
Koentopp, M.1
Chang, C.2
Burke, K.3
Car, R.4
-
34
-
-
38349173610
-
-
JACSAT 0002-7863 10.1021/ja0762386
-
C. Li, I. Pobelov, T. Wandlowski, A. Bagrets, A. Arnold, and F. Evers, J. Am. Chem. Soc. 130, 318 (2008). JACSAT 0002-7863 10.1021/ja0762386
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 318
-
-
Li, C.1
Pobelov, I.2
Wandlowski, T.3
Bagrets, A.4
Arnold, A.5
Evers, F.6
-
35
-
-
61649114300
-
-
NALEFD 1530-6984 10.1021/nl802643h
-
M. Paulsson, C. Krag, T. Frederiksen, and M. Brandbyge, Nano Lett. 9, 117 (2009). NALEFD 1530-6984 10.1021/nl802643h
-
(2009)
Nano Lett.
, vol.9
, pp. 117
-
-
Paulsson, M.1
Krag, C.2
Frederiksen, T.3
Brandbyge, M.4
|