-
1
-
-
0000229982
-
Weitere Studien über das Wärmegleichgewicht unter Gasmolekülen
-
Boltzmann, L. Weitere Studien über das Wärmegleichgewicht unter Gasmolekülen. Wiener Berichte 66, 275-370 (1872).
-
(1872)
Wiener Berichte
, vol.66
, pp. 275-370
-
-
Boltzmann, L.1
-
5
-
-
36849121788
-
Molecular partition functions in terms of local properties
-
Herschbach, D. R., Johnston, H. S. & Rapp, D. Molecular partition functions in terms of local properties. J. Chem. Phys. 31, 1652-1661 (1959).
-
(1959)
J. Chem. Phys.
, vol.31
, pp. 1652-1661
-
-
Herschbach, D.R.1
Johnston, H.S.2
Rapp, D.3
-
6
-
-
0033813064
-
Measuring conformational dynamics of biomolecules by single molecule fluorescence spectroscopy
-
Weiss, S. Measuring conformational dynamics of biomolecules by single molecule fluorescence spectroscopy. Nat. Struct. Biol. 7, 724-729 (2000).
-
(2000)
Nat. Struct. Biol.
, vol.7
, pp. 724-729
-
-
Weiss, S.1
-
7
-
-
0037832404
-
Myosin v walks hand-over-hand: Single fluorophore imaging with 1.5-nm localization
-
Yildiz, A. et al. Myosin V walks hand-over-hand: single fluorophore imaging with 1.5-nm localization. Science 300, 2061-2065 (2003).
-
(2003)
Science
, vol.300
, pp. 2061-2065
-
-
Yildiz, A.1
-
8
-
-
0037036070
-
Equilibrium information from nonequilibrium measurements in an experimental test of Jarzynski's equality
-
Liphardt, J., Dumont, S., Smith, S. B., Tinoco, I. Jr & Bustamante, C. Equilibrium information from nonequilibrium measurements in an experimental test of Jarzynski's equality. Science 296, 1832-1835 (2002).
-
(2002)
Science
, vol.296
, pp. 1832-1835
-
-
Liphardt, J.1
Dumont, S.2
Smith, S.B.3
Tinoco, I.4
Bustamante, C.5
-
9
-
-
0037304678
-
Relating single-molecule measurements to thermodynamics
-
Keller, D., Swigon, D. & Bustamante, C. Relating single-molecule measurements to thermodynamics. Biophys. J. 84, 733-738 (2003).
-
(2003)
Biophys. J.
, vol.84
, pp. 733-738
-
-
Keller, D.1
Swigon, D.2
Bustamante, C.3
-
10
-
-
23844508956
-
The nonequilibrium thermodynamics of small systems
-
Bustamante, C., Liphardt, J. & Ritort, F. The nonequilibrium thermodynamics of small systems. Phys. Today 58, 43-48 (2005).
-
(2005)
Phys. Today
, vol.58
, pp. 43-48
-
-
Bustamante, C.1
Liphardt, J.2
Ritort, F.3
-
11
-
-
78650753691
-
Free energy profiles from single-molecule pulling experiments
-
Hummer, G. & Szabo, A. Free energy profiles from single-molecule pulling experiments. Proc. Natl Acad. Sci. USA 107, 21441-21446 (2010).
-
(2010)
Proc. Natl Acad. Sci. USA
, vol.107
, pp. 21441-21446
-
-
Hummer, G.1
Szabo, A.2
-
12
-
-
84865764280
-
Experimental free-energy measurements of kinetic molecular states using fluctuation theorems
-
Alemany, A., Mossa, A., Junier, I. & Ritort, F. Experimental free-energy measurements of kinetic molecular states using fluctuation theorems. Nat. Phys. 8, 688-694 (2012).
-
(2012)
Nat. Phys.
, vol.8
, pp. 688-694
-
-
Alemany, A.1
Mossa, A.2
Junier, I.3
Ritort, F.4
-
13
-
-
79958145046
-
Equalities and inequalities: Irreversibility and the second law of thermodynamics at the nanoscale
-
Jarzynski, C. Equalities and inequalities: irreversibility and the second law of thermodynamics at the nanoscale. Ann. Rev. Condens. Matter Phys. 2, 329-351 (2011).
-
(2011)
Ann. Rev. Condens. Matter Phys.
, vol.2
, pp. 329-351
-
-
Jarzynski, C.1
-
14
-
-
44949159733
-
A differential fluctuation theorem
-
Maragakis, P., Spichty, M. & Karplus, M. A differential fluctuation theorem. J. Phys. Chem. B 112, 6168-6174 (2008).
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 6168-6174
-
-
Maragakis, P.1
Spichty, M.2
Karplus, M.3
-
15
-
-
79958145046
-
Equalities and inequalities: Irreversibility and the second law of thermodynamics at the nanoscale
-
Jarzynski, C. Equalities and Inequalities: Irreversibility and the Second Law of Thermodynamics at the Nanoscale. Annu. Rev. Condens. Matter Phys 2, 329-351 (2011).
-
(2011)
Annu. Rev. Condens. Matter Phys
, vol.2
, pp. 329-351
-
-
Jarzynski, C.1
-
16
-
-
84870231206
-
Stochastic thermodynamics, fluctuation, theorems and molecular machines
-
Seifert, U. Stochastic thermodynamics, fluctuation, theorems and molecular machines. Rep. Prog. Phys 75, 126001 (2012).
-
(2012)
Rep. Prog. Phys
, vol.75
, pp. 126001
-
-
Seifert, U.1
-
17
-
-
0028276063
-
A chemically and electrochemically switchable molecular shuttle
-
Bissell, R. A., Cordova, E., Kaifer, A. E. & Stoddart, J. F. A chemically and electrochemically switchable molecular shuttle. Nature 369, 133-137 (1994).
-
(1994)
Nature
, vol.369
, pp. 133-137
-
-
Bissell, R.A.1
Cordova, E.2
Kaifer, A.E.3
Stoddart, J.F.4
-
18
-
-
33846684084
-
A molecular information ratchet
-
Serreli, V., Lee, C. F., Kay, E. R. & Leigh, D. A. A molecular information ratchet. Nature 445, 523-527 (2007).
-
(2007)
Nature
, vol.445
, pp. 523-527
-
-
Serreli, V.1
Lee, C.F.2
Kay, E.R.3
Leigh, D.A.4
-
19
-
-
27644467853
-
Unidirectional molecular motor on a gold surface
-
van Delden, R. A. et al. Unidirectional molecular motor on a gold surface. Nature 437, 1337-1340 (2005).
-
(2005)
Nature
, vol.437
, pp. 1337-1340
-
-
Van Delden, R.A.1
-
20
-
-
0037126290
-
Probing the free-energy surface for protein folding with single-molecule fluorescence spectroscopy
-
Schuler, B., Lipman, E. A. & Eaton, W. A. Probing the free-energy surface for protein folding with single-molecule fluorescence spectroscopy. Nature 419, 743-747 (2002).
-
(2002)
Nature
, vol.419
, pp. 743-747
-
-
Schuler, B.1
Lipman, E.A.2
Eaton, W.A.3
-
21
-
-
84870184265
-
Accounting for the kinetics in order parameter analysis: Lessons from theoretical models and a disordered peptide
-
Berezovska, G., Prada-Gracia, D., Mostarda, S. & Rao, F. Accounting for the kinetics in order parameter analysis: lessons from theoretical models and a disordered peptide. J. Chem. Phys. 137, 194101 (2012).
-
(2012)
J. Chem. Phys.
, vol.137
, pp. 194101
-
-
Berezovska, G.1
Prada-Gracia, D.2
Mostarda, S.3
Rao, F.4
-
22
-
-
84867532464
-
Towards a microscopic description of the free-energy landscape of water
-
Prada-Gracia, D., Shevchuk, R., Hamm, P. & Rao, F. Towards a microscopic description of the free-energy landscape of water. J. Chem. Phys. 137, 144504 (2012).
-
(2012)
J. Chem. Phys.
, vol.137
, pp. 144504
-
-
Prada-Gracia, D.1
Shevchuk, R.2
Hamm, P.3
Rao, F.4
-
24
-
-
4143090730
-
The protein folding network
-
Rao, F. & Caflisch, A. The protein folding network. J. Mol. Biol. 342, 299-306 (2004).
-
(2004)
J. Mol. Biol.
, vol.342
, pp. 299-306
-
-
Rao, F.1
Caflisch, A.2
-
25
-
-
0037148862
-
Chiral recognition in dimerization of adsorbed cysteine observed by scanning tunnelling microscopy
-
Kühnle, A., Linderoth, T. R., Hammer, B. & Besenbacher, F. Chiral recognition in dimerization of adsorbed cysteine observed by scanning tunnelling microscopy. Nature 415, 891-893 (2002).
-
(2002)
Nature
, vol.415
, pp. 891-893
-
-
Kühnle, A.1
Linderoth, T.R.2
Hammer, B.3
Besenbacher, F.4
-
26
-
-
67649487923
-
Step-by-step rotation of a molecule-gear mounted on an atomic-scale axis
-
Manzano, C. et al. Step-by-step rotation of a molecule-gear mounted on an atomic-scale axis. Nat. Mater. 8, 576-579 (2009).
-
(2009)
Nat. Mater.
, vol.8
, pp. 576-579
-
-
Manzano, C.1
-
27
-
-
84856185047
-
Hierarchically organized bimolecular ladder network exhibiting guided one-dimensional diffusion
-
Makoudi, Y. et al. Hierarchically organized bimolecular ladder network exhibiting guided one-dimensional diffusion. ACS Nano 6, 549-556 (2012).
-
(2012)
ACS Nano
, vol.6
, pp. 549-556
-
-
Makoudi, Y.1
-
28
-
-
84871773024
-
Controlled clockwise and anticlockwise rotational switching of a molecular motor
-
Perera, U. G. E. et al. Controlled clockwise and anticlockwise rotational switching of a molecular motor. Nat. Nanotechnol. 8, 46-51 (2013).
-
(2013)
Nat. Nanotechnol.
, vol.8
, pp. 46-51
-
-
Perera, U.G.E.1
-
29
-
-
57849101640
-
Using metal-organic templates to steer the growth of Fe and Co nanoclusters
-
Decker, R. et al. Using metal-organic templates to steer the growth of Fe and Co nanoclusters. Appl. Phys. Lett. 93, 243102 (2008).
-
(2008)
Appl. Phys. Lett.
, vol.93
, pp. 243102
-
-
Decker, R.1
-
30
-
-
33846883814
-
Molecular architectonic on metal surfaces
-
Barth, J. V. Molecular architectonic on metal surfaces. Annu. Rev. Phys. Chem. 58, 375-407 (2007).
-
(2007)
Annu. Rev. Phys. Chem.
, vol.58
, pp. 375-407
-
-
Barth, J.V.1
-
31
-
-
1842731276
-
Steering molecular organization and host-guest interactions using two-dimensional nanoporous coordination systems
-
Stepanow, S. et al. Steering molecular organization and host-guest interactions using two-dimensional nanoporous coordination systems. Nat. Mater. 3, 229-233 (2004).
-
(2004)
Nat. Mater.
, vol.3
, pp. 229-233
-
-
Stepanow, S.1
-
32
-
-
67849119126
-
High-quality 2D metal-organic coordination network providing giant cavities within mesoscale domains
-
Kühne, D. et al. High-quality 2D metal-organic coordination network providing giant cavities within mesoscale domains. J. Am. Chem. Soc. 131, 3881-3884 (2009).
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 3881-3884
-
-
Kühne, D.1
-
33
-
-
78650735659
-
Rotational and constitutional dynamics of caged supramolecules
-
Kühne, D. et al. Rotational and constitutional dynamics of caged supramolecules. Proc. Natl Acad. Sci. USA 107, 21332-21336 (2010).
-
(2010)
Proc. Natl Acad. Sci. USA
, vol.107
, pp. 21332-21336
-
-
Kühne, D.1
-
34
-
-
84911997234
-
Surface-confined supramolecular coordination chemistry
-
Lin, N., Stepanow, S., Ruben, M. & Barth, J. V. Surface-confined supramolecular coordination chemistry. Top. Curr. Chem. 287, 1-44 (2009).
-
(2009)
Top. Curr. Chem.
, vol.287
, pp. 1-44
-
-
Lin, N.1
Stepanow, S.2
Ruben, M.3
Barth, J.V.4
-
35
-
-
84874179375
-
Formation of Fe cluster superlattice in a metal-organic quantum-box network
-
Pivetta, M., Pacchioni, G. E., Schlickum, U., Barth, J. V. & Brune, H. Formation of Fe cluster superlattice in a metal-organic quantum-box network. Phys. Rev. Lett. 110, 086102 (2013).
-
(2013)
Phys. Rev. Lett.
, vol.110
, pp. 086102
-
-
Pivetta, M.1
Pacchioni, G.E.2
Schlickum, U.3
Barth, J.V.4
Brune, H.5
-
36
-
-
78651435247
-
Tunable quantum dot arrays formed from selfassembled metal-organic networks
-
Klappenberger, F. et al. Tunable quantum dot arrays formed from selfassembled metal-organic networks. Phys. Rev. Lett. 106, 026802 (2011).
-
(2011)
Phys. Rev. Lett.
, vol.106
, pp. 026802
-
-
Klappenberger, F.1
-
37
-
-
65349169530
-
Design of MOFs and intellectual content in reticular chemistry: A personal view
-
O'Keeffe, M. Design of MOFs and intellectual content in reticular chemistry: a personal view. Chem. Soc. Rev. 38, 1215-1217 (2009).
-
(2009)
Chem. Soc. Rev.
, vol.38
, pp. 1215-1217
-
-
O'Keeffe, M.1
-
38
-
-
84876217879
-
2 dynamics in metal-organic frameworks with open metal sites
-
2 dynamics in metal-organic frameworks with open metal sites. Angew. Chem. Int. Ed. 52, 4410-4413 (2013).
-
(2013)
Angew. Chem. Int. Ed.
, vol.52
, pp. 4410-4413
-
-
Lin, L.C.1
-
39
-
-
84860440181
-
Predicting self-assembly: From empirism to determinism
-
Palma, C.-A., Cecchini, M. & Samori, P. Predicting self-assembly: from empirism to determinism. Chem. Soc. Rev. 41, 3713-3730 (2012).
-
(2012)
Chem. Soc. Rev.
, vol.41
, pp. 3713-3730
-
-
Palma, C.-A.1
Cecchini, M.2
Samori, P.3
-
40
-
-
62249160689
-
Quantum holographic encoding in a two-dimensional electron gas
-
Moon, C. R. et al. Quantum holographic encoding in a two-dimensional electron gas. Nat. Nanotechnol. 4, 167-172 (2009).
-
(2009)
Nat. Nanotechnol.
, vol.4
, pp. 167-172
-
-
Moon, C.R.1
-
41
-
-
0034298308
-
Transport of adsorbates at metal surfaces: From thermal migration to hot precursors
-
Barth, J. V. Transport of adsorbates at metal surfaces: from thermal migration to hot precursors. Surf. Sci. Rep. 40, 75-149 (2000).
-
(2000)
Surf. Sci. Rep.
, vol.40
, pp. 75-149
-
-
Barth, J.V.1
-
42
-
-
0037122040
-
Real-time single-molecule imaging of the formation and dynamics of coordination compounds
-
Lin, N., Dmitriev, A., Weckesser, J., Barth, J. V. & Kern, K. Real-time single-molecule imaging of the formation and dynamics of coordination compounds. Angew. Chem. Int. Ed. 41, 4779-4783 (2002).
-
(2002)
Angew. Chem. Int. Ed.
, vol.41
, pp. 4779-4783
-
-
Lin, N.1
Dmitriev, A.2
Weckesser, J.3
Barth, J.V.4
Kern, K.5
-
43
-
-
61649123297
-
Dimerization boosts one-dimensional mobility of conformationally adapted porphyrins on a hexagonal surface atomic lattice
-
Eichberger, M. et al. Dimerization boosts one-dimensional mobility of conformationally adapted porphyrins on a hexagonal surface atomic lattice. Nano Lett. 8, 4608-4613 (2008).
-
(2008)
Nano Lett.
, vol.8
, pp. 4608-4613
-
-
Eichberger, M.1
-
44
-
-
38049182851
-
Metal-organic honeycomb nanomeshes with tunable cavity size
-
Schlickum, U. et al. Metal-organic honeycomb nanomeshes with tunable cavity size. Nano Lett. 7, 3813-3817 (2007).
-
(2007)
Nano Lett.
, vol.7
, pp. 3813-3817
-
-
Schlickum, U.1
-
45
-
-
34250732790
-
A supramolecular multiposition rotary device
-
Wintjes, N. et al. A Supramolecular Multiposition Rotary Device. Angew. Chem. Int. Ed 46, 4089-4092 (2007).
-
(2007)
Angew. Chem. Int. Ed
, vol.46
, pp. 4089-4092
-
-
Wintjes, N.1
-
46
-
-
80455173883
-
Experimental demonstration of a single-molecule electric motor
-
Tierney, H. L. et al. Experimental demonstration of a single-molecule electric motor. Nat Nanotechnol. 6, 625-629 (2011).
-
(2011)
Nat Nanotechnol.
, vol.6
, pp. 625-629
-
-
Tierney, H.L.1
-
47
-
-
56249090691
-
Constructing an array of anchored single-molecule rotors on gold surfaces
-
Gao, L. et al. Constructing an Array of Anchored Single-Molecule Rotors on Gold Surfaces. Phys Rev Lett. 101, 197209 (2008).
-
(2008)
Phys Rev Lett.
, vol.101
, pp. 197209
-
-
Gao, L.1
-
49
-
-
84906074516
-
Topological dynamics in supramolecular rotors
-
Palma, C.-A. et al. Topological dynamics in supramolecular rotors. Nano Lett. 14, 4461-4468 (2014).
-
(2014)
Nano Lett.
, vol.14
, pp. 4461-4468
-
-
Palma, C.-A.1
-
50
-
-
84869450951
-
Nature of the attractive interaction between proton acceptors and organic ring systems
-
Arras, E., Seitsonen, A. P., Klappenberger, F. & Barth, J. V. Nature of the attractive interaction between proton acceptors and organic ring systems. Phys. Chem. Chem. Phys 14, 15995-16001 (2012).
-
(2012)
Phys. Chem. Chem. Phys
, vol.14
, pp. 15995-16001
-
-
Arras, E.1
Seitsonen, A.P.2
Klappenberger, F.3
Barth, J.V.4
-
51
-
-
84865044331
-
Unraveling the hierarchic formation of open-porous bimolecular networks
-
Krenner, W. et al. Unraveling the hierarchic formation of open-porous bimolecular networks. J. Phys. Chem. C 116, 16421-16429 (2012).
-
(2012)
J. Phys. Chem. C
, vol.116
, pp. 16421-16429
-
-
Krenner, W.1
-
52
-
-
84904131589
-
Improved reweighting of accelerated molecular dynamics simulations for free energy calculation
-
Miao, Y. L. et al. Improved reweighting of accelerated molecular dynamics simulations for free energy calculation. J. Chem. Theory Comput. 10, 2677-2689 (2014).
-
(2014)
J. Chem. Theory Comput.
, vol.10
, pp. 2677-2689
-
-
Miao, Y.L.1
-
53
-
-
5244304444
-
Efficient estimation of free-energy differences from Monte-Carlo data
-
Bennett, C. H. Efficient estimation of free-energy differences from Monte-Carlo data. J. Comput. Phys. 22, 245-268 (1976).
-
(1976)
J. Comput. Phys.
, vol.22
, pp. 245-268
-
-
Bennett, C.H.1
-
54
-
-
33646987405
-
Optimized monte-carlo data-analysis
-
Ferrenberg, A. M. & Swendsen, R. H. Optimized Monte-Carlo data-analysis. Phys. Rev. Lett. 63, 1195-1198 (1989).
-
(1989)
Phys. Rev. Lett.
, vol.63
, pp. 1195-1198
-
-
Ferrenberg, A.M.1
Swendsen, R.H.2
-
55
-
-
2442537377
-
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
-
Kresse, G. & Furthmuller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169-11186 (1996).
-
(1996)
Phys. Rev. B
, vol.54
, pp. 11169-11186
-
-
Kresse, G.1
Furthmuller, J.2
-
56
-
-
25744460922
-
Projector augmented-wave method
-
Blochl, P. E. Projector augmented-wave method. Phys. Rev. B 50, 17953-17979 (1994).
-
(1994)
Phys. Rev. B
, vol.50
, pp. 17953-17979
-
-
Blochl, P.E.1
-
57
-
-
2842565972
-
Generalized gradient approximation for the exchange-correlation hole of a many-electron system
-
Perdew, J. P., Burke, K. & Wang, Y. Generalized gradient approximation for the exchange-correlation hole of a many-electron system. Phys. Rev. B 54, 16533-16539 (1996).
-
(1996)
Phys. Rev. B
, vol.54
, pp. 16533-16539
-
-
Perdew, J.P.1
Burke, K.2
Wang, Y.3
-
58
-
-
33750559983
-
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
-
Grimme, S. Semiempirical GGA-type density functional constructed with a long-range dispersion correction. J. Comp. Chem. 27, 1787-1799 (2006).
-
(2006)
J. Comp. Chem.
, vol.27
, pp. 1787-1799
-
-
Grimme, S.1
-
59
-
-
67650500988
-
CHARMM: The biomolecular simulation program
-
Brooks, B. R. et al. CHARMM: the biomolecular simulation program. J. Comp. Chem. 30, 1545-1614 (2009).
-
(2009)
J. Comp. Chem.
, vol.30
, pp. 1545-1614
-
-
Brooks, B.R.1
-
60
-
-
33646940952
-
Numerical-integration of Cartesian equations of motion of a system with constraints - Moleculardynamics of N-alkanes
-
Ryckaert, J. P., Ciccotti, G. & Berendsen, H. J. C. Numerical-integration of Cartesian equations of motion of a system with constraints - moleculardynamics of N-alkanes. J. Comp. Phys. 23, 327-341 (1977).
-
(1977)
J. Comp. Phys.
, vol.23
, pp. 327-341
-
-
Ryckaert, J.P.1
Ciccotti, G.2
Berendsen, H.J.C.3
|