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1

Perspective: Theory of quantum transport in molecular junctions

Thoss, Michael, Evers, Ferdinand

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 4.04 MB

english, 2018

2

Photoinduced electron transfer processes in dye-semiconductor systems with different spacer groups

Li, Jingrui, Wang, Haobin, Persson, Petter, Thoss, Michael

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 2.67 MB

english, 2012

3

SEMICLASSICAL DESCRIPTION OF MOLECULAR DYNAMICS BASED ON INITIAL-VALUE REPRESENTATION METHODS

Thoss, Michael, Wang, Haobin

Journal:

Annual Review of Physical Chemistry

Year:

2004

Language:

english

File:

PDF, 682 KB

english, 2004

4

Multilayer formulation of the multiconfiguration time-dependent Hartree theory

Wang, Haobin, Thoss, Michael

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 450 KB

english, 2003

5

Semiclassical Description of Nonadiabatic Quantum Dynamics

Stock, Gerhard, Thoss, Michael

Journal:

Physical Review Letters

Year:

1997

Language:

english

File:

PDF, 194 KB

english, 1997

6

Toward Functional Inorganic/Organic Hybrids: Phenoxy-allyl-PTCDI Synthesis, Experimentally and Theoretically Determined Properties of the Isolated Molecule, Layer Characteristics, and the Interface Formation of Phenoxy-allyl-PTCDI on Si(111):H Determined by SXPS and DFT

Decker, Andreas, Suraru, Sabin-Lucian, Rubio-Pons, Oscar, Mankel, Eric, Bockstedte, Michel, Thoss, Michael, Würthner, Frank, Mayer, Thomas, Jaegermann, Wolfram

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 4.20 MB

english, 2011

7

Self-consistent hybrid approach for complex systems: Application to the spin-boson model with Debye spectral density

Thoss, Michael, Wang, Haobin, Miller, William H.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 443 KB

english, 2001

8

Correlated electron-nuclear dynamics in ultrafast photoinduced electron-transfer reactions at dye-semiconductor interfaces

Thoss, Michael, Kondov, Ivan, Wang, Haobin

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 775 KB

english, 2007

9

Quantum dynamics of electron-transfer reactions: photoinduced intermolecular electron transfer in a porphyrin–quinone complex

Borrelli, Raffaele, Thoss, Michael, Wang, Haobin, Domcke, Wolfgang

Journal:

Molecular Physics

Year:

2012

Language:

english

File:

PDF, 611 KB

english, 2012

10

Disruptive: making lenses in a foundry

Thoss, Andreas F., Pfeffer, Michael M.

Journal:

Advanced Optical Technologies

Year:

2018

Language:

english

File:

PDF, 268 KB

english, 2018

11

Theoretical Study of Intramolecular Singlet Fission in Xanthene-bonded Pentacene Dimers

Seelam, Rajagopala Reddy, Coto, Pedro B., Thoss, Michael

Journal:

Chemical Physics

Year:

2018

Language:

english

File:

PDF, 16.50 MB

english, 2018

12

Intramolecular Singlet Fission: Insights from Quantum Dynamical Simulations

Reddy, S. Rajagopala, Coto, Pedro B., Thoss, Michael

Journal:

The Journal of Physical Chemistry Letters

Year:

2018

Language:

english

File:

PDF, 9.63 MB

english, 2018

13

Special topic on dynamics of open quantum systems

Berkelbach, Timothy C., Thoss, Michael

Journal:

The Journal of Chemical Physics

Year:

2020

Language:

english

File:

PDF, 840 KB

english, 2020

14

A model for the quantum dynamics of Rydberg states of large molecules

Michael Thoss, Wolfgang Domcke

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 492 KB

english, 1995

15

Quantum dynamical simulation of ultrafast molecular processes in the condensed phase

Michael Thoss, Haobin Wang

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 1.59 MB

english, 2006

16

From coherent motion to localization: II. Dynamics of the spin-boson model with sub-Ohmic spectral density at zero temperature

Haobin Wang, Michael Thoss

Journal:

Chemical Physics

Year:

2010

Language:

english

File:

PDF, 928 KB

english, 2010

17

Theoretical study of vibrational wave-packet dynamics in electron-transfer systems

Michael Thoss, Wolfgang Domcke, Haobin Wang

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 1.42 MB

english, 2004

18

Theoretical study of ultrafast heterogeneous electron transfer reactions at dye–semiconductor interfaces

Michael Thoss, Ivan Kondov, Haobin Wang

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 762 KB

english, 2004

19

Semiclassical simulation of absorption spectra for a chromophore coupled to an anharmonic bath

Haobin Wang, Michael Thoss

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 362 KB

english, 2004

20

Nonperturbative quantum simulation of time-resolved nonlinear spectra: Methodology and application to electron transfer reactions in the condensed phase

Haobin Wang, Michael Thoss

Journal:

Chemical Physics

Year:

2008

Language:

english

File:

PDF, 298 KB

english, 2008

21

Nonperturbative simulation of pump–probe spectra for electron transfer reactions in the condensed phase

Haobin Wang, Michael Thoss

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 249 KB

english, 2004

22

Heat transport through model molecular junctions: A multilayer multiconfiguration time-dependent Hartree approach

Kirill A. Velizhanin, Haobin Wang, Michael Thoss

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 297 KB

english, 2008

23

Quantum dynamical simulation of ultrafast photoinduced electron transfer processes in a mixed-valence compound

Michael Thoss, Haobin Wang

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 144 KB

english, 2002

24

Computational study of titanium (IV) complexes with organic chromophores

Ivan Kondov, Haobin Wang, Michael Thoss

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 220 KB

english, 2006

25

A quantum action principle for open systems

Michael Thoss, Berthold-Georg Englert

Journal:

Letters in Mathematical Physics

Year:

1996

Language:

english

File:

PDF, 572 KB

english, 1996

26

Charge transport through a flexible molecular junction

Martin Čížek, Michael Thoss, Wolfgang Domcke

Journal:

Czechoslovak Journal of Physics

Year:

2005

Language:

english

File:

PDF, 293 KB

english, 2005

27

Numerically exact, time-dependent treatment of vibrationally coupled electron transport in single-molecule junctions

Wang, Haobin, Pshenichnyuk, Ivan, Härtle, Rainer, Thoss, Michael

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 896 KB

english, 2011

28

Experimental Evidence for Quantum Interference and Vibrationally Induced Decoherence in Single-Molecule Junctions

Ballmann, Stefan, Härtle, Rainer, Coto, Pedro B., Elbing, Mark, Mayor, Marcel, Bryce, Martin R., Thoss, Michael, Weber, Heiko B.

Journal:

Physical Review Letters

Year:

2012

Language:

english

File:

PDF, 901 KB

english, 2012

29

Lithium in Intermetallic Clathrates

Dr. Bodo Böhme, Ying Liang, Franziska Thoss, Lars Giebeler, Helmut Ehrenberg, Michael Baitinger, Jürgen Eckert, Yuri Grin

Journal:

Zeitschrift für anorganische und allgemeine Chemie

Year:

2012

File:

PDF, 133 KB

2012

30

Self-consistent hybrid approach for simulating electron transfer reactions in condensed phases

Haobin Wang, Michael Thoss

Journal:

Israel Journal of Chemistry

Year:

2002

Language:

english

File:

PDF, 1.62 MB

english, 2002

31

Bistability signatures in nonequilibrium charge transport through molecular quantum dots

Albrecht, Klaus Ferdinand, Wang, Haobin, Mühlbacher, Lothar, Thoss, Michael, Komnik, Andreas

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 286 KB

english, 2012

32

Dynamical Simulation of Photoinduced Electron Transfer Reactions in Dye−Semiconductor Systems with Different Anchor Groups

Li, Jingrui, Nilsing, Mattias, Kondov, Ivan, Wang, Haobin, Persson, Petter, Lunell, Sten, Thoss, Michael

Journal:

The Journal of Physical Chemistry C

Year:

2008

Language:

english

File:

PDF, 402 KB

english, 2008

33

Quantum Dynamics of Photoinduced Electron-Transfer Reactions in Dye−Semiconductor Systems: First-Principles Description and Application to Coumarin 343−TiO 2

Kondov, Ivan, Čížek, Martin, Benesch, Claudia, Wang, Haobin, Thoss, Michael

Journal:

The Journal of Physical Chemistry C

Year:

2007

Language:

english

File:

PDF, 426 KB

english, 2007

34

Charge Transport in Pentacene–Graphene Nanojunctions

Pshenichnyuk, Ivan A., Coto, Pedro B., Leitherer, Susanne, Thoss, Michael

Journal:

The Journal of Physical Chemistry Letters

Year:

2013

Language:

english

File:

PDF, 1.41 MB

english, 2013

35

Orbital-Symmetry-Dependent Electron Transfer through Molecules Assembled on Metal Substrates

Blobner, Florian, Coto, Pedro B., Allegretti, Francesco, Bockstedte, Michel, Rubio-Pons, Oscar, Wang, Haobin, Allara, David L., Zharnikov, Michael, Thoss, Michael, Feulner, Peter

Journal:

The Journal of Physical Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 767 KB

english, 2012

36

Theoretical Study of Ultrafast Heterogeneous Electron Transfer Reactions at Dye−Semiconductor Interfaces: Coumarin 343 at Titanium Oxide †

Kondov, Ivan, Thoss, Michael, Wang, Haobin

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 269 KB

english, 2006

37

Numerically exact quantum dynamics for indistinguishable particles: The multilayer multiconfiguration time-dependent Hartree theory in second quantization representation

Wang, Haobin, Thoss, Michael

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 587 KB

english, 2009

38

Theory of vibrational relaxation processes in resonant collisions of low-energy electrons with large molecules

Thoss, Michael, Domcke, Wolfgang

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 707 KB

english, 1998

39

Quasiclassical and semiclassical wave-packet dynamics in periodic potentials

Balzer, Birgit, Dilthey, Stefan, Stock, Gerhard, Thoss, Michael

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 639 KB

english, 2003

40

Meir–Wingreen formula for heat transport in a spin-boson nanojunction model

Velizhanin, Kirill A., Thoss, Michael, Wang, Haobin

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 501 KB

english, 2010

41

Theoretical Study of Photoinduced Electron-Transfer Processes in the Dye−Semiconductor System Alizarin−TiO 2

Li, Jingrui, Kondov, Ivan, Wang, Haobin, Thoss, Michael

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 3.59 MB

english, 2010

42

Dynamical Simulation of Electron Transfer Processes in Alkanethiolate Self-Assembled Monolayers at the Au(111) Surface

Prucker, Veronika, Rubio-Pons, Oscar, Bockstedte, Michel, Wang, Haobin, Coto, Pedro B., Thoss, Michael

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 4.63 MB

english, 2013

43

Nonequilibrium quantum systems with electron-phonon interactions: Transient dynamics and approach to steady state

Wilner, Eli Y., Wang, Haobin, Thoss, Michael, Rabani, Eran

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 1.46 MB

english, 2014

44

Switching the conductance of a molecular junction using a proton transfer reaction

Hofmeister, Chriszandro, Härtle, Rainer, Rubio-Pons, Óscar, Coto, Pedro B., Sobolewski, Andrzej L., Thoss, Michael

Journal:

Journal of Molecular Modeling

Year:

2014

Language:

english

File:

PDF, 712 KB

english, 2014

45

B1-Mobilstor: Materials for Sustainable Energy Storage Techniques - Lithium Containing Compounds for Hydrogen and Electrochemical Energy Storage

Böhme, Bodo, Bonatto Minella, Christian, Thoss, Franziska, Lindemann, Inge, Rosenburg, Martin, Pistidda, Claudio, Møller, Kasper T., Jensen, Torben R., Giebeler, Lars, Baitinger, Michael, Gutfleisch,

Journal:

Advanced Engineering Materials

Year:

2014

Language:

english

File:

PDF, 1.17 MB

english, 2014

46

Multilayer Multiconfiguration Time-Dependent Hartree Study of Vibrationally Coupled Electron Transport Using the Scattering-State Representation

Wang, Haobin, Thoss, Michael

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 788 KB

english, 2013

47

Quantum Dynamical Simulation of Electron-Transfer Reactions in an Anharmonic Environment †

Wang, Haobin, Thoss, Michael

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 107 KB

english, 2007

48

Resonant Vibrations, Peak Broadening, and Noise in Single Molecule Contacts: The Nature of the First Conductance Peak

Secker, Daniel, Wagner, Stefan, Ballmann, Stefan, Härtle, Rainer, Thoss, Michael, Weber, Heiko B.

Journal:

Physical Review Letters

Year:

2011

Language:

english

File:

PDF, 352 KB

english, 2011

49

Bias-controlled selective excitation of vibrational modes in molecular junctions: a route towards mode-selective chemistry

Volkovich, Roie, Härtle, Rainer, Thoss, Michael, Peskin, Uri

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.75 MB

english, 2011

50

Semiclassical description of quantum coherence effects and their quenching: A forward–backward initial value representation study

Wang, Haobin, Thoss, Michael, Sorge, Kathy L., Gelabert, Ricard, Giménez, Xavier, Miller, William H.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 320 KB

english, 2001

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