Harald Oberhofer : rechercher sur Z-Library

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1

The occurrence of tax amnesties: Theory and evidence

Bayer, Ralph-C., Oberhofer, Harald, Winner, Hannes

Journal:

Journal of Public Economics

Année:

2015

Langue:

english

Fichier:

PDF, 537 KB

english, 2015

2

Creative Disasters? Flooding Effects on Capital, Labour and Productivity Within European Firms

Andrea M. Leiter, Harald Oberhofer, Paul A. Raschky

Journal:

Environmental and Resource Economics

Année:

2009

Langue:

english

Fichier:

PDF, 295 KB

english, 2009

3

Distance matters in away games: Evidence from the German football league

Harald Oberhofer, Tassilo Philippovich, Hannes Winner

Journal:

Journal of Economic Psychology

Année:

2010

Langue:

english

Fichier:

PDF, 292 KB

english, 2010

4

Biased Sampling of Nonequilibrium Trajectories: Can Fast Switching Simulations Outperform Conventional Free Energy Calculation Methods? †

Oberhofer, Harald, Dellago, Christoph, Geissler, Phillip L.

Journal:

Journal of Physical Chemistry B

Année:

2005

Langue:

english

Fichier:

PDF, 183 KB

english, 2005

5

Function-Space Based Solution Scheme for the Size-Modified Poisson-Boltzmann Equation in Full-Potential DFT

Ringe, Stefan, Oberhofer, Harald, Hille, Christoph, Matera, Sebastian, Reuter, Karsten

Journal:

Journal of Chemical Theory and Computation

Année:

2016

Langue:

english

Fichier:

PDF, 2.79 MB

english, 2016

6

Bilateral trade agreements and price distortions in agricultural markets

Hirsch, Cornelius, Oberhofer, Harald

Journal:

European Review of Agricultural Economics

Année:

2019

Langue:

english

Fichier:

PDF, 580 KB

english, 2019

7

Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework

Berger, Daniel, Logsdail, Andrew J., Oberhofer, Harald, Farrow, Matthew R., Catlow, C. Richard A., Sherwood, Paul, Sokol, Alexey A., Blum, Volker, Reuter, Karsten

Journal:

The Journal of Chemical Physics

Année:

2014

Langue:

english

Fichier:

PDF, 983 KB

english, 2014

8

Performance of small- and medium-sized enterprises in services trade: evidence from French firms

Lejárraga, Iza, Oberhofer, Harald

Journal:

Small Business Economics

Année:

2015

Langue:

english

Fichier:

PDF, 399 KB

english, 2015

9

Perspective: On the active site model in computational catalyst screening

Reuter, Karsten, Plaisance, Craig P., Oberhofer, Harald, Andersen, Mie

Journal:

The Journal of Chemical Physics

Année:

2017

Langue:

english

Fichier:

PDF, 6.62 MB

english, 2017

10

The Occurrence of Tax Amnesties: Theory and Evidence

Bayer, Ralph C., Oberhofer, Harald, Winner, Hannes

Journal:

SSRN Electronic Journal

Année:

2014

Langue:

english

Fichier:

PDF, 483 KB

english, 2014

11

Generalized molecular solvation in non-aqueous solutions by a single parameter implicit solvation scheme

Hille, Christoph, Ringe, Stefan, Deimel, Martin, Kunkel, Christian, Acree, William E., Reuter, Karsten, Oberhofer, Harald

Journal:

The Journal of Chemical Physics

Année:

2019

Langue:

english

Fichier:

PDF, 1.13 MB

english, 2019

12

Toward First-Principles-Level Polarization Energies in Force Fields: A Gaussian Basis for the Atom-Condensed Kohn–Sham Method

Gütlein, Patrick, Lang, Lucas, Reuter, Karsten, Blumberger, Jochen, Oberhofer, Harald

Journal:

Journal of Chemical Theory and Computation

Année:

2019

Langue:

english

Fichier:

PDF, 1.82 MB

english, 2019

13

SizeâExtensive Molecular Machine Learning with Global Representations

Jung, Hyunwook, Stocker, Sina, Kunkel, Christian, Oberhofer, Harald, Han, Byungchan, Reuter, Karsten, Margraf, Johannes T.

Journal:

ChemSystemsChem

Année:

2020

Langue:

english

Fichier:

PDF, 1.38 MB

english, 2020

14

Insight into the Mechanism of the Ru2+–Ru3+ Electron Self-Exchange Reaction from Quantitative Rate Calculations

Harald Oberhofer, Jochen Blumberger

Journal:

Angewandte Chemie

Année:

2010

Langue:

english

Fichier:

PDF, 570 KB

english, 2010

15

Insight into the Mechanism of the Ru2+–Ru3+ Electron Self-Exchange Reaction from Quantitative Rate Calculations

Harald Oberhofer, Jochen Blumberger

Journal:

Angewandte Chemie International Edition

Année:

2010

Langue:

english

Fichier:

PDF, 590 KB

english, 2010

16

Efficient extraction of free energy profiles from nonequilibrium experiments

Harald Oberhofer, Christoph Dellago

Journal:

Journal of Computational Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 491 KB

english, 2009

17

Optimum bias for fast-switching free energy calculations

Harald Oberhofer, Christoph Dellago

Journal:

Computer Physics Communications

Année:

2008

Langue:

english

Fichier:

PDF, 381 KB

english, 2008

18

Oil and the duration of dictatorships

Jesus Crespo Cuaresma, Harald Oberhofer, Paul A. Raschky

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 773 KB

english, 2011

19

Gas-Phase Formation of Large Neutral Alkaline-Earth Metal Tryptophan Complexes

Markus Marksteiner, Philipp Haslinger, Hendrik Ulbricht, Michele Sclafani, Harald Oberhofer, Christoph Dellago, Markus Arndt

Journal:

Journal of the American Society for Mass Spectrometry

Année:

2008

Langue:

english

Fichier:

PDF, 842 KB

english, 2008

20

FDI versus Exports: Multiple Host Countries and Empirical Evidence

Harald Oberhofer, Michael Pfaffermayr

Journal:

The World Economy

Année:

2012

Langue:

english

Fichier:

PDF, 122 KB

english, 2012

21

Revisiting electronic couplings and incoherent hopping models for electron transport in crystalline C60 at ambient temperatures

Oberhofer, Harald, Blumberger, Jochen

Journal:

Physical Chemistry Chemical Physics

Année:

2012

Langue:

english

Fichier:

PDF, 2.14 MB

english, 2012

22

Firm Growth, European Industry Dynamics and Domestic Business Cycles

Harald Oberhofer

Journal:

Scottish Journal of Political Economy

Année:

2012

Langue:

english

Fichier:

PDF, 303 KB

english, 2012

23

Large time-step, fast-switching free energy calculations with non-symplectic integrators

Harald Oberhofer, Christoph Dellago

Journal:

Israel Journal of Chemistry

Année:

2007

Langue:

english

Fichier:

PDF, 779 KB

english, 2007

24

Charge constrained density functional molecular dynamics for simulation of condensed phase electron transfer reactions

Oberhofer, Harald, Blumberger, Jochen

Journal:

The Journal of Chemical Physics

Année:

2009

Langue:

english

Fichier:

PDF, 898 KB

english, 2009

25

On the Inapplicability of Electron-Hopping Models for the Organic Semiconductor Phenyl-C61-butyric Acid Methyl Ester (PCBM)

Gajdos, Fruzsina, Oberhofer, Harald, Dupuis, Michel, Blumberger, Jochen

Journal:

The Journal of Physical Chemistry Letters

Année:

2013

Langue:

english

Fichier:

PDF, 2.52 MB

english, 2013

26

Employment Effects of Acquisitions: Evidence from Acquired European Firms

Oberhofer, Harald

Journal:

Review of Industrial Organization

Année:

2013

Langue:

english

Fichier:

PDF, 222 KB

english, 2013

27

Firm growth in multinational corporate groups

Harald Oberhofer, Michael Pfaffermayr

Journal:

Empirical Economics

Année:

2013

Langue:

english

Fichier:

PDF, 216 KB

english, 2013

28

Chemical Activity of Thin Oxide Layers: Strong Interactions with the Support Yield a New Thin-Film Phase of ZnO

Schott, Vadim, Oberhofer, Harald, Birkner, Alexander, Xu, Mingchun, Wang, Yuemin, Muhler, Martin, Reuter, Karsten, Wöll, Christof

Journal:

Angewandte Chemie International Edition

Année:

2013

Langue:

english

Fichier:

PDF, 1.49 MB

english, 2013

29

Firm growth and productivity in Belarus: New empirical evidence from the machine building industry

Crespo Cuaresma, Jesus, Oberhofer, Harald, Vincelette, Gallina Andronova

Journal:

Journal of Comparative Economics

Année:

2014

Langue:

english

Fichier:

PDF, 399 KB

english, 2014

30

Prediction of Reorganization Free Energies for Biological Electron Transfer: A Comparative Study of Ru-Modified Cytochromes and a 4-Helix Bundle Protein

Tipmanee, Varomyalin, Oberhofer, Harald, Park, Mina, Kim, Kwang S., Blumberger, Jochen

Journal:

Journal of the American Chemical Society

Année:

2010

Langue:

english

Fichier:

PDF, 4.79 MB

english, 2010

31

Correction to “Inapplicability of Electron-Hopping Models for the Organic Semiconductor Phenyl-C61-butyric Acid Methyl Ester (PCBM)”

Gajdos, Fruzsina, Oberhofer, Harald, Dupuis, Michel, Blumberger, Jochen

Journal:

The Journal of Physical Chemistry Letters

Année:

2014

Langue:

english

Fichier:

PDF, 1.22 MB

english, 2014

32

First-principles thermodynamic screening approach to photo-catalytic water splitting with co-catalysts

Oberhofer, Harald, Reuter, Karsten

Journal:

The Journal of Chemical Physics

Année:

2013

Langue:

english

Fichier:

PDF, 525 KB

english, 2013

33

Electronic couplings for molecular charge transfer: Benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations

Kubas, Adam, Hoffmann, Felix, Heck, Alexander, Oberhofer, Harald, Elstner, Marcus, Blumberger, Jochen

Journal:

The Journal of Chemical Physics

Année:

2014

Langue:

english

Fichier:

PDF, 1.77 MB

english, 2014

34

Electronic coupling matrix elements from charge constrained density functional theory calculations using a plane wave basis set

Oberhofer, Harald, Blumberger, Jochen

Journal:

The Journal of Chemical Physics

Année:

2010

Langue:

english

Fichier:

PDF, 740 KB

english, 2010

35

Single molecule pulling with large time steps

Oberhofer, Harald, Dellago, Christoph, Boresch, Stefan

Journal:

Physical Review E

Année:

2007

Langue:

english

Fichier:

PDF, 211 KB

english, 2007

36

Electronic couplings for molecular charge transfer: benchmarking CDFT, FODFT and FODFTB against high-level ab initio calculations. II

Kubas, Adam, Gajdos, Fruzsina, Heck, Alexander, Oberhofer, Harald, Elstner, Marcus, Blumberger, Jochen

Journal:

Physical Chemistry Chemical Physics

Année:

2015

Langue:

english

Fichier:

PDF, 2.01 MB

english, 2015

37

Photoswitching in nanoporous, crystalline solids: an experimental and theoretical study for azobenzene linkers incorporated in MOFs

Wang, Zhengbang, Heinke, Lars, Jelic, Jelena, Cakici, Murat, Dommaschk, Marcel, Maurer, Reinhard J., Oberhofer, Harald, Grosjean, Sylvain, Herges, Rainer, Bräse, Stefan, Reuter, Karsten, Wöll, Christo

Journal:

Physical Chemistry Chemical Physics

Année:

2015

Langue:

english

Fichier:

PDF, 2.26 MB

english, 2015

38

Comment on “A centroid molecular dynamics study of liquid para hydrogen and ortho deuterium” [J. Chem. Phys. 121, 6412 (2004)]

Miller, Thomas F., Manolopoulos, David E., Madden, Paul A., Konieczny, Martin, Oberhofer, Harald

Journal:

The Journal of Chemical Physics

Année:

2005

Langue:

english

Fichier:

PDF, 79 KB

english, 2005

39

Equilibrium free energies from fast-switching trajectories with large time steps

Lechner, Wolfgang, Oberhofer, Harald, Dellago, Christoph, Geissler, Phillip L.

Journal:

The Journal of Chemical Physics

Année:

2006

Langue:

english

Fichier:

PDF, 180 KB

english, 2006

40

A note on merger and acquisition evaluation

Furlan, Benjamin, Oberhofer, Harald, Winner, Hannes

Journal:

Industrial and Corporate Change

Année:

2015

Langue:

english

Fichier:

PDF, 285 KB

english, 2015

41

Chemische Aktivität von dünnen Oxidschichten: Starke Träger- Wechselwirkungen ergeben eine neue ZnO-Dünnfilmphase

Schott, Vadim, Oberhofer, Harald, Birkner, Alexander, Xu, Mingchun, Wang, Yuemin, Muhler, Martin, Reuter, Karsten, Wöll, Christof

Journal:

Angewandte Chemie

Année:

2013

Langue:

german

Fichier:

PDF, 1.29 MB

german, 2013

42

Democratization and Real Exchange Rates,

Furlan, Benjamin, Gächter, Martin, Krebs, Bob, Oberhofer, Harald

Journal:

Scottish Journal of Political Economy

Année:

2016

Langue:

english

Fichier:

PDF, 366 KB

english, 2016

43

(110) surface

Berger, Daniel, Oberhofer, Harald, Reuter, Karsten

Journal:

Physical Review B

Année:

2015

Langue:

english

Fichier:

PDF, 894 KB

english, 2015

44

Thermal and Electronic Fluctuations of Flexible Adsorbed Molecules: Azobenzene on Ag(111)

Maurer, Reinhard J., Liu, Wei, Poltavsky, Igor, Stecher, Thomas, Oberhofer, Harald, Reuter, Karsten, Tkatchenko, Alexandre

Journal:

Physical Review Letters

Année:

2016

Langue:

english

Fichier:

PDF, 655 KB

english, 2016

45

Oil and the duration of dictatorships

Jesus Crespo Cuaresma, Harald Oberhofer and Paul A. Raschky

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 2.15 MB

english, 2011

46

Who creates jobs? Econometric modeling and evidence for Austrian firm level data

Huber, Peter, Oberhofer, Harald, Pfaffermayr, Michael

Journal:

European Economic Review

Année:

2016

Langue:

english

Fichier:

PDF, 1.13 MB

english, 2016

47

Virtual Screening for High Carrier Mobility in Organic Semiconductors

Schober, Christoph, Reuter, Karsten, Oberhofer, Harald

Journal:

The Journal of Physical Chemistry Letters

Année:

2016

Langue:

english

Fichier:

PDF, 1.06 MB

english, 2016

48

Surface Adsorption Energetics Studied with “Gold Standard” Wavefunction Based Ab Initio Methods: Small Molecule Binding to TiO 2 (110)

Kubas, Adam M, Berger, Daniel, Oberhofer, Harald, Maganas, Dimitrios, Reuter, Karsten, Neese, Frank

Journal:

The Journal of Physical Chemistry Letters

Année:

2016

Langue:

english

Fichier:

PDF, 1.21 MB

english, 2016

49

First-Principles Free-Energy Barriers for Photoelectrochemical Surface Reactions: Proton Abstraction at

Stecher, Thomas, Reuter, Karsten, Oberhofer, Harald

Journal:

Physical Review Letters

Année:

2016

Langue:

english

Fichier:

PDF, 494 KB

english, 2016

50

Critical analysis of fragment-orbital DFT schemes for the calculation of electronic coupling values

Schober, Christoph, Reuter, Karsten, Oberhofer, Harald

Journal:

The Journal of Chemical Physics

Année:

2016

Langue:

english

Fichier:

PDF, 1.27 MB

english, 2016