-
2
-
-
0034735798
-
Electronics using hybrid-molecular and mono-molecular devices
-
Joachim, C., Gimzewski, J.K., Aviram, A., Electronics using hybrid-molecular and mono-molecular devices, Nature 408, 541-548 (2000)
-
(2000)
Nature
, vol.408
, pp. 541-548
-
-
Joachim, C.1
Gimzewski, J.K.2
Aviram, A.3
-
3
-
-
0037071635
-
Coulomb blockade and the Kondo effect in single-atom transistors
-
Park, J., Pasupathy, A.N., Goldsmith, J.I., Chang, C., Yaish, Y., Petta, J.R., Rinkoski, M., Sethna, J.P., Abruña, H.D., McEuen, P.L., Ralph, D.C., Coulomb blockade and the Kondo effect in single-atom transistors, Nature 417, 722-725 (2002)
-
(2002)
Nature
, vol.417
, pp. 722-725
-
-
Park, J.1
Pasupathy, A.N.2
Goldsmith, J.I.3
Chang, C.4
Yaish, Y.5
Petta, J.R.6
Rinkoski, M.7
Sethna, J.P.8
Abruña, H.D.9
McEuen, P.L.10
Ralph, D.C.11
-
4
-
-
0037071820
-
Kondo resonance in a single-molecule transistor
-
Liang, W., Shores, M.P., Bockrath, M., Long, J.R., Park, H., Kondo resonance in a single-molecule transistor, Nature 417, 725-729 (2002)
-
(2002)
Nature
, vol.417
, pp. 725-729
-
-
Liang, W.1
Shores, M.P.2
Bockrath, M.3
Long, J.R.4
Park, H.5
-
5
-
-
2442621074
-
Disruption of the silver haloid molecule by mechanical force
-
Carey Lea, M., Disruption of the silver haloid molecule by mechanical force, Phil. Mag. 34, 46-50 (1892)
-
(1892)
Phil. Mag
, vol.34
, pp. 46-50
-
-
Carey Lea, M.1
-
6
-
-
24144498081
-
Mechanochemistry: The mechanical activation of covalent bonds
-
Beyer, M.K., Clausen-Schaumann, H., Mechanochemistry: The mechanical activation of covalent bonds, Chem. Rev. 105, 2921-2948 (2005)
-
(2005)
Chem. Rev
, vol.105
, pp. 2921-2948
-
-
Beyer, M.K.1
Clausen-Schaumann, H.2
-
7
-
-
32044440045
-
Mechanically induced chemistry: New perspective on the nanoscale
-
Frank, I., Mechanically induced chemistry: New perspective on the nanoscale, Angew. Chem. Int. Ed. 45, 852-854 (2006)
-
(2006)
Angew. Chem. Int. Ed
, vol.45
, pp. 852-854
-
-
Frank, I.1
-
8
-
-
33644866829
-
Physical chemistry - Stressed molecules break down
-
Granick, S., Bae, S. C., Physical chemistry - Stressed molecules break down, Nature 440, 160-161 (2006)
-
(2006)
Nature
, vol.440
, pp. 160-161
-
-
Granick, S.1
Bae, S.C.2
-
9
-
-
33947522020
-
Mechanochemistry - A reaction to stress
-
Rosen, B.M., Percec, V., Mechanochemistry - A reaction to stress, Nature 446, 381-382 (2007)
-
(2007)
Nature
, vol.446
, pp. 381-382
-
-
Rosen, B.M.1
Percec, V.2
-
10
-
-
0033548611
-
How strong is a covalent bond?
-
Grandbois, M., et al., How strong is a covalent bond? Science 283, 1727-1730 (1999)
-
(1999)
Science
, vol.283
, pp. 1727-1730
-
-
Grandbois, M.1
-
11
-
-
0033529081
-
Influence of a knot on the strength of a polymer strand
-
Saitta, A.M., et al., Influence of a knot on the strength of a polymer strand, Nature 399, 46-48 (1999)
-
(1999)
Nature
, vol.399
, pp. 46-48
-
-
Saitta, A.M.1
-
12
-
-
0037012381
-
Breaking bonds by mechanical stress: When do electrons decide for the other side?
-
Aktah, D., Frank, I.: Breaking bonds by mechanical stress: When do electrons decide for the other side? J. Am. Chem. Soc. 124, 3402-3406 (2002)
-
(2002)
J. Am. Chem. Soc
, vol.124
, pp. 3402-3406
-
-
Aktah, D.1
Frank, I.2
-
13
-
-
0038206392
-
Pulling monatomic gold wires with single molecules: An ab initio simulation
-
Krüger, D., et al., Pulling monatomic gold wires with single molecules: An ab initio simulation, Phys. Rev. Lett. 89, 186402 (2002)
-
(2002)
Phys. Rev. Lett
, vol.89
, pp. 186402
-
-
Krüger, D.1
-
14
-
-
0037981649
-
Towards "mechanochemistry": Mechanically induced isomerizations of thiolate-gold clusters
-
Krüger, D., et al., Towards "mechanochemistry": Mechanically induced isomerizations of thiolate-gold clusters, Angew. Chem. Int. Ed. 42, 2251-2253 (2003)
-
(2003)
Angew. Chem. Int. Ed
, vol.42
, pp. 2251-2253
-
-
Krüger, D.1
-
15
-
-
27144486886
-
First principles calculations of mechanical properties of 4,4(')-bipyridine attached to Au nanowires
-
Vélez, P., Dassie, S.A., Leiva, E.P.M., First principles calculations of mechanical properties of 4,4(')-bipyridine attached to Au nanowires, Phys. Rev. Lett. 95, 045503 (2005)
-
(2005)
Phys. Rev. Lett
, vol.95
, pp. 045503
-
-
Vélez, P.1
Dassie, S.A.2
Leiva, E.P.M.3
-
16
-
-
33645303805
-
Mechanical twisting of a guest photoresponsive host
-
Muraoka, T., Kinbara, K., Aida, T., Mechanical twisting of a guest photoresponsive host, Nature 440, 512-515 (2006)
-
(2006)
Nature
, vol.440
, pp. 512-515
-
-
Muraoka, T.1
Kinbara, K.2
Aida, T.3
-
17
-
-
32844468376
-
Oxygen clamps in gold nanowires
-
Novaes, F. D., et al., Oxygen clamps in gold nanowires, Phys. Rev. Lett. 96, 016104 (2006)
-
(2006)
Phys. Rev. Lett
, vol.96
, pp. 016104
-
-
Novaes, F.D.1
-
18
-
-
33644867031
-
Adsorption-induced scission of carbon-carbon bonds
-
Sheiko, S. S., et al., Adsorption-induced scission of carbon-carbon bonds, Nature 440, 191-194 (2006)
-
(2006)
Nature
, vol.440
, pp. 191-194
-
-
Sheiko, S.S.1
-
19
-
-
33947532790
-
Biasing reaction pathways with mechanical force
-
Hickenboth,C. R., et al., Biasing reaction pathways with mechanical force, Nature 446, 423-427 (2007)
-
(2007)
Nature
, vol.446
, pp. 423-427
-
-
Hickenboth, C.R.1
-
20
-
-
0033548713
-
Nanoscale science of single molecules using local probes
-
Gimzewski, J. K. and Joachim, C., Nanoscale science of single molecules using local probes, Science 283 1683-1688 (1999)
-
(1999)
Science
, vol.283
, pp. 1683-1688
-
-
Gimzewski, J.K.1
Joachim, C.2
-
21
-
-
21144457128
-
Scanning tunneling microscopy experiments on single molecular landers
-
Moresco, F. and Gourdon, A., Scanning tunneling microscopy experiments on single molecular landers, PNAS 102, 8809-8814 (2005)
-
(2005)
PNAS
, vol.102
, pp. 8809-8814
-
-
Moresco, F.1
Gourdon, A.2
-
22
-
-
33646727851
-
Scanning tunneling microscopy manipulation of complex organic molecules on solid surfaces
-
Otero, R., Rosei, F., Besenbacher, F., Scanning tunneling microscopy manipulation of complex organic molecules on solid surfaces, Ann. Rev. Phys. Chem. 57, 497-525 (2006)
-
(2006)
Ann. Rev. Phys. Chem
, vol.57
, pp. 497-525
-
-
Otero, R.1
Rosei, F.2
Besenbacher, F.3
-
23
-
-
0037206850
-
Measurement of the conductance of a hydrogen molecule
-
Smit R.H.M., Noat, Y., Untiedt, C., Lang, N.D., van Hemert, M.C., van Ruitenbeek, J.M., Measurement of the conductance of a hydrogen molecule, Nature 419, 906-909 (2002)
-
(2002)
Nature
, vol.419
, pp. 906-909
-
-
Smit, R.H.M.1
Noat, Y.2
Untiedt, C.3
Lang, N.D.4
van Hemert, M.C.5
van Ruitenbeek, J.M.6
-
24
-
-
0033940113
-
Nanofabrication of self-assembled monolayers using scanning probe lithography
-
Liu, G. Y., Xu, S., Qian, Y.L., Nanofabrication of self-assembled monolayers using scanning probe lithography, Acc. Chem. Res. 33 457-466 (2000)
-
(2000)
Acc. Chem. Res
, vol.33
, pp. 457-466
-
-
Liu, G.Y.1
Xu, S.2
Qian, Y.L.3
-
25
-
-
8444235418
-
Electrical measurements in molecular electronics
-
James, D.K. and Tour, J.M., Electrical measurements in molecular electronics, Chem. Mat. 16, 4423-4435 (2004)
-
(2004)
Chem. Mat
, vol.16
, pp. 4423-4435
-
-
James, D.K.1
Tour, J.M.2
-
26
-
-
33847673624
-
Applications of dip-pen nanolithography
-
Salaita, K.,Wang, Y.H., Mirkin, C.A., Applications of dip-pen nanolithography, Nat. Nanotech. 2, 145-155 (2007)
-
(2007)
Nat. Nanotech
, vol.2
, pp. 145-155
-
-
Salaita, K.1
Wang, Y.H.2
Mirkin, C.A.3
-
27
-
-
34250009816
-
Measurement of single-molecule conductance
-
Chen, F., et al., Measurement of single-molecule conductance, Ann. Rev. Phys. Chem. 58, 535-564 (2007)
-
(2007)
Ann. Rev. Phys. Chem
, vol.58
, pp. 535-564
-
-
Chen, F.1
-
28
-
-
3242666071
-
Self-assembled monolayers: From "simple" model systems to biofunctionalized interfaces
-
Schreiber, F., Self-assembled monolayers: From "simple" model systems to biofunctionalized interfaces, J. Phys.: Condens. Matter 16 R881-R900 (2004)
-
(2004)
J. Phys.: Condens. Matter
, vol.16
-
-
Schreiber, F.1
-
29
-
-
18044398972
-
Self-assembled monolayers of thiolates on metals as a form of nanotechnology
-
Love, J.C., et al., Self-assembled monolayers of thiolates on metals as a form of nanotechnology, Chem. Rev. 105, 1103-1169 (2005)
-
(2005)
Chem. Rev
, vol.105
, pp. 1103-1169
-
-
Love, J.C.1
-
30
-
-
41149170228
-
-
Konôpka, M., Turansky, R., Reichert, J., Fuchs, H., Marx, D., Štich, I., Mechanochemistry and thermochemistry are different: Stress-induced strengthening of chemical bonds. Phys. Rev. Lett. 100, 1155031-1-4 (2008)
-
Konôpka, M., Turansky, R., Reichert, J., Fuchs, H., Marx, D., Štich, I., Mechanochemistry and thermochemistry are different: Stress-induced strengthening of chemical bonds. Phys. Rev. Lett. 100, 1155031-1-4 (2008)
-
-
-
-
31
-
-
0001102565
-
Molecular process of adsorption and desorption of alkanethiol monolayers on Au(111)
-
Kondoh, H., Nozoye, H., Molecular process of adsorption and desorption of alkanethiol monolayers on Au(111). J. Chem. Phys. 111, 1175-1184 (1999)
-
(1999)
J. Chem. Phys
, vol.111
, pp. 1175-1184
-
-
Kondoh, H.1
Nozoye, H.2
-
32
-
-
4644303240
-
Detaching thiolates from copper and gold clusters: Which bonds to break?
-
Konôka, M., Rousseau, R., Štich, I., Marx, D., Detaching thiolates from copper and gold clusters: Which bonds to break? J. Am. Chem. Soc. 126, 12103-12111 (2004)
-
(2004)
J. Am. Chem. Soc
, vol.126
, pp. 12103-12111
-
-
Konôka, M.1
Rousseau, R.2
Štich, I.3
Marx, D.4
-
33
-
-
27144536274
-
-
3-S on Cu(111). Phys. Rev. Lett. 95, 096102-1-4 (2005)
-
3-S on Cu(111). Phys. Rev. Lett. 95, 096102-1-4 (2005)
-
-
-
-
35
-
-
0037198809
-
Adsorption and thermal decomposition of alkanethiols on Cu(110)
-
Lai, Y.-H., et al., Adsorption and thermal decomposition of alkanethiols on Cu(110). J. Phys. Chem. B 106, 5438 (2002).
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 5438
-
-
Lai, Y.-H.1
-
36
-
-
57149087419
-
-
Marx, D., Hutter, J., Ab initio molecular dynamics: Theory and implementation. In: Grotendorst, J. (ed) Modern Methods and Algorithms of Quantum Chemistry. NIC, FZ Jülich (2000), pp. 301-449; for downloads see: www.theochem.ruhr-uni-bochum.de/go/cprev.html
-
Marx, D., Hutter, J., Ab initio molecular dynamics: Theory and implementation. In: Grotendorst, J. (ed) Modern Methods and Algorithms of Quantum Chemistry. NIC, FZ Jülich (2000), pp. 301-449; for downloads see: www.theochem.ruhr-uni-bochum.de/go/cprev.html
-
-
-
-
37
-
-
4243943295
-
Generalized gradient approximation made simple
-
Perdew, J.P., Burke, K., Ernzerhof, M., Generalized gradient approximation made simple, Phys. Rev. Lett. 77, 3865-3868 (1996)
-
(1996)
Phys. Rev. Lett
, vol.77
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
38
-
-
4944232881
-
-
Perdew, J.P., Burke, K., Ernzerhof, M., Phys. Rev. Lett. 78, 1396-1396 (1997)
-
(1997)
Phys. Rev. Lett
, vol.78
, pp. 1396-1396
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
39
-
-
57149114273
-
-
CPMD, Copyright IBM Corp 1990-2006, Copyright MPI für Festkörperforschung Stuttgart 1997-2001
-
CPMD, Copyright IBM Corp 1990-2006, Copyright MPI für Festkörperforschung Stuttgart 1997-2001
-
-
-
-
40
-
-
84942320882
-
-
Dürr, H, Bouas-Laurent, H, ed, Elsevier, Amsterdam
-
Dürr, H., Bouas-Laurent, H. (ed.), Photochromism. Molecules and Systems. Elsevier, Amsterdam (1990)
-
(1990)
Photochromism. Molecules and Systems
-
-
-
41
-
-
0001473052
-
The Cis-form of Azobenzene
-
Hartley, G.S., The Cis-form of Azobenzene. Nature 140, 281-281 (1937)
-
(1937)
Nature
, vol.140
, pp. 281-281
-
-
Hartley, G.S.1
-
42
-
-
0037052498
-
Single-molecule optomechanical cycle
-
Hugel, T., Holland, N.B., Cattani, A., Moroder, L., Seitz, M., Gaub, H.E., Single-molecule optomechanical cycle. Science 296, 1103-1106 (2002)
-
(2002)
Science
, vol.296
, pp. 1103-1106
-
-
Hugel, T.1
Holland, N.B.2
Cattani, A.3
Moroder, L.4
Seitz, M.5
Gaub, H.E.6
-
43
-
-
57149087213
-
-
Reichert, J., Klein, S., Konôpka, M., Turanský, R., Marx, D., Štich, I., Fuchs, H., Conductance of an illuminated metal-molecule-metal junction utilizing a near-field probe as counterelectrode. [Submitted to Rev. Sci. Inst.(2008)]
-
Reichert, J., Klein, S., Konôpka, M., Turanský, R., Marx, D., Štich, I., Fuchs, H., Conductance of an illuminated metal-molecule-metal junction utilizing a near-field probe as counterelectrode. [Submitted to Rev. Sci. Inst.(2008)]
-
-
-
-
44
-
-
1942512141
-
-
Dulić, D., van der Molen, S.J., Kudernac, T., Jonkman, H.T., de Jong, J.J.D., Bowden, T.N., van Esch, J., Feringa, B.L., van Wees, B.J., One-way optoelectronic switching of photochromic molecules on gold. Phys. Rev. Lett. 91, 207402-1-4 (2003)
-
Dulić, D., van der Molen, S.J., Kudernac, T., Jonkman, H.T., de Jong, J.J.D., Bowden, T.N., van Esch, J., Feringa, B.L., van Wees, B.J., One-way optoelectronic switching of photochromic molecules on gold. Phys. Rev. Lett. 91, 207402-1-4 (2003)
-
-
-
-
45
-
-
27644583282
-
-
Cimelli, C., Granucci, G., Persio, M., Are azobenzenophanes rotation-restricted? J. Chem. Phys. 123, 174317-1-10 (2005)
-
Cimelli, C., Granucci, G., Persio, M., Are azobenzenophanes rotation-restricted? J. Chem. Phys. 123, 174317-1-10 (2005)
-
-
-
-
46
-
-
33745936205
-
First-principles simulation of the photoreaction of a capped azobenzene: The rotational pathway is feasible
-
Nonnenberg, C., Gaub, H., Frank, I., First-principles simulation of the photoreaction of a capped azobenzene: The rotational pathway is feasible. Chem. Phys. Chem. 7, 1455-1461 (2006)
-
(2006)
Chem. Phys. Chem
, vol.7
, pp. 1455-1461
-
-
Nonnenberg, C.1
Gaub, H.2
Frank, I.3
-
47
-
-
57149115492
-
Mechanical and opto-mechanical switching of azobenzene metal-organic junctions
-
Submitted
-
Turanský, R., Konôpka, M., Reichert, J., Fuchs, H., Marx, D., Štich, I., Mechanical and opto-mechanical switching of azobenzene metal-organic junctions. Submitted (2008)
-
(2008)
-
-
Turanský, R.1
Konôpka, M.2
Reichert, J.3
Fuchs, H.4
Marx, D.5
Štich, I.6
-
48
-
-
57149107738
-
-
see
-
see http://www.accelrys.com
-
-
-
-
49
-
-
25344457226
-
Interatomic interactions in the effective-medium theory
-
Jacobsen, K.W., Norskov, J.K., Puska, M.J., Interatomic interactions in the effective-medium theory, Phys. Rev. B 35, 7423-7442 (1987)
-
(1987)
Phys. Rev. B
, vol.35
, pp. 7423-7442
-
-
Jacobsen, K.W.1
Norskov, J.K.2
Puska, M.J.3
-
50
-
-
0000074308
-
Molecular dynamics in low-spin excited states
-
Frank, I., Hutter, J., Marx, D., Parrinello, M., Molecular dynamics in low-spin excited states, J. Chem. Phys. 108, 4060-4069 (1998)
-
(1998)
J. Chem. Phys
, vol.108
, pp. 4060-4069
-
-
Frank, I.1
Hutter, J.2
Marx, D.3
Parrinello, M.4
-
51
-
-
0347682277
-
-
Grimm, S., Nonnenberg, C., Frank, I., Restricted open-shell Kohn-Sham theory for π - π* transitions. I. Polyenes, cyanines, and protonated imines, J. Chem. Phys. 119, 11574-11584 (2003)
-
Grimm, S., Nonnenberg, C., Frank, I., Restricted open-shell Kohn-Sham theory for π - π* transitions. I. Polyenes, cyanines, and protonated imines, J. Chem. Phys. 119, 11574-11584 (2003)
-
-
-
-
52
-
-
0000160164
-
Separable dual-space Gaussian pseudopotentials
-
Goedecker, S., Teter, M., Hutter, J., Separable dual-space Gaussian pseudopotentials, Phys. Rev. B 54, 1703-1710 (1996)
-
(1996)
Phys. Rev. B
, vol.54
, pp. 1703-1710
-
-
Goedecker, S.1
Teter, M.2
Hutter, J.3
-
53
-
-
0000083717
-
Relativistic separable dual-space Gaussian pseudopotentials from H to Rn
-
Hartwigsen, C., Goedecker, S., Hutter, J., Relativistic separable dual-space Gaussian pseudopotentials from H to Rn. Phys. Rev. B 58, 3641-3662 (1998)
-
(1998)
Phys. Rev. B
, vol.58
, pp. 3641-3662
-
-
Hartwigsen, C.1
Goedecker, S.2
Hutter, J.3
-
54
-
-
11744311972
-
Flash photolysis experiments in the vapour phase at elevated temperatures I: Spectra of azobenzene and the kinetics of its thermal cis-trans isomerization
-
Andersson, J.-Å., Petterson, R., Tegnér, L., Flash photolysis experiments in the vapour phase at elevated temperatures I: Spectra of azobenzene and the kinetics of its thermal cis-trans isomerization. J. Photochem. 20, 17-32 (1982)
-
(1982)
J. Photochem
, vol.20
, pp. 17-32
-
-
Andersson, J.-Å.1
Petterson, R.2
Tegnér, L.3
-
55
-
-
0043076202
-
Ab Initio Calculations of the Vibrational and Electronic Spectra of trans- and cis-Azobenzene
-
Fliegl, H., Köhn, A., Hättig, C., Ahlrichs, R.: Ab Initio Calculations of the Vibrational and Electronic Spectra of trans- and cis-Azobenzene. J. Am. Chem. Soc. 125, 9821-9827 (2003)
-
(2003)
J. Am. Chem. Soc
, vol.125
, pp. 9821-9827
-
-
Fliegl, H.1
Köhn, A.2
Hättig, C.3
Ahlrichs, R.4
-
56
-
-
57149102440
-
-
In preparation
-
Turanský, R., Konôpka, M., Reichert, J., Fuchs, H., Marx, D., Štich, I.: (In preparation)
-
-
-
Turanský, R.1
Konôpka, M.2
Reichert, J.3
Fuchs, H.4
Marx, D.5
Štich, I.6
-
58
-
-
2442646472
-
A theoretical study of the lowest electronic states of azobenzene: The role of torsion coordinate in the cis-trans photoisomerization
-
Gagliardi, L., Orlandi, G., Bernardi, F., Cembran, A., Garavelli, M., A theoretical study of the lowest electronic states of azobenzene: The role of torsion coordinate in the cis-trans photoisomerization, Theor. Chem. Acc. 111, 363-372 (2004)
-
(2004)
Theor. Chem. Acc
, vol.111
, pp. 363-372
-
-
Gagliardi, L.1
Orlandi, G.2
Bernardi, F.3
Cembran, A.4
Garavelli, M.5
-
59
-
-
33646349469
-
-
Choi, B.-Y., Kahng, S.-J., Kim, S., Kim, H., Kim, H.W., Song, Y.J., Ihm, J., Kuk, Y., Conformational molecular switch of the azobenzene molecule: A scanning tunneling microscopy Study, Phys. Rev. Lett. 96, 156106-1-4 (2006)
-
Choi, B.-Y., Kahng, S.-J., Kim, S., Kim, H., Kim, H.W., Song, Y.J., Ihm, J., Kuk, Y., Conformational molecular switch of the azobenzene molecule: A scanning tunneling microscopy Study, Phys. Rev. Lett. 96, 156106-1-4 (2006)
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