Volker Settels: search on Z-Library

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1

Comparison of the periodic slab approach with the finite cluster description of metal-organic interfaces at the example of PTCDA on Ag(110)

Banerjee, Jaita, Behnle, Stefan, Galbraith, Martin C. E., Settels, Volker, Engels, Bernd, Tonner, Ralf, Fink, Reinhold F.

Journal:

Journal of Computational Chemistry

Year:

2018

Language:

english

File:

PDF, 636 KB

english, 2018

2

Analyzing Learned Molecular Representations for Property Prediction

Yang, Kevin, Swanson, Kyle, Jin, Wengong, Coley, Connor W., Eiden, Philipp, Gao, Hua, Guzman-Perez, Angel, Hopper, Tim, Kelley, Brian, Mathea, Miriam, Palmer, Andrew, Settels, Volker, Jaakkola, Tommi

Journal:

Journal of Chemical Information and Modeling

Year:

2019

Language:

english

File:

PDF, 4.80 MB

english, 2019

3

A computational study of the methanolysis of palladium?acyl bonds

Donald, Steven M. A., Macgregor, Stuart A., Settels, Volker, Cole-Hamilton, David J., Eastham, Graham R.

Journal:

Chemical Communications

Year:

2007

Language:

english

File:

PDF, 345 KB

english, 2007

4

Influence of a polarizable surrounding on the electronically excited states of aggregated perylene materials

Bellinger, Daniel, Settels, Volker, Liu, Wenlan, Fink, Reinhold F., Engels, Bernd

Journal:

Journal of Computational Chemistry

Year:

2016

Language:

english

File:

PDF, 522 KB

english, 2016

5

Ultrafast Exciton Self-Trapping upon Geometry Deformation in Perylene-Based Molecular Aggregates

Schubert, Alexander, Settels, Volker, Liu, Wenlan, Würthner, Frank, Meier, Christoph, Fink, Reinhold F., Schindlbeck, Stefan, Lochbrunner, Stefan, Engels, Bernd, Engel, Volker

Journal:

The Journal of Physical Chemistry Letters

Year:

2013

Language:

english

File:

PDF, 1.49 MB

english, 2013

6

Similarities and Differences in the Optical Response of Perylene-Based Hetero-Bichromophores and Their Monomeric Units

Selig, Ulrike, Nuernberger, Patrick, Dehm, Volker, Settels, Volker, Gsänger, Marcel, Engels, Bernd, Würthner, Frank, Brixner, Tobias

Journal:

Year:

2013

Language:

english

File:

PDF, 1.89 MB

english, 2013

7

Comparison of the electronic structure of different perylene-based dye-aggregates

Volker Settels, Wenlan Liu, Jens Pflaum, Reinhold F. Fink, Bernd Engels

Journal:

Journal of Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 1.26 MB

english, 2012

8

A general ansatz for constructing quasi-diabatic states in electronically excited aggregated systems

Liu, Wenlan, Lunkenheimer, Bernd, Settels, Volker, Engels, Bernd, Fink, Reinhold F., Köhn, Andreas

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.53 MB

english, 2015

9

Multi-scale modelling of heat transfer in polyurethane foams

Ferkl, Pavel, Toulec, Miloš, Laurini, Erik, Pricl, Sabrina, Fermeglia, Maurizio, Auffarth, Stefan, Eling, Berend, Settels, Volker, Kosek, Juraj

Journal:

Chemical Engineering Science

Year:

2017

Language:

english

File:

PDF, 2.07 MB

english, 2017

10

Assessment of TD-DFT- and TD-HF-based approaches for the prediction of exciton coupling parameters, potential energy curves, and electronic characters of electronically excited aggregates

Wenlan Liu, Volker Settels, Philipp H. P. Harbach, Andreas Dreuw, Reinhold F. Fink, Bernd Engels

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 1.83 MB

english, 2011

11

Partition Coefficient of AIBN and Associated Radicals Between Aqueous and Organic Phase: Benchmark of Predictions with the COSMO-RS Model and Perspective for the Use in Kinetic Modelling of Multiphase Systems

Orlov, Yury, Heiler, Heike, Settels, Volker, Deglmann, Peter

Journal:

Macromolecular Symposia

Year:

2016

Language:

english

File:

PDF, 242 KB

english, 2016

12

Alarm: Assessing Large-scale environmental Risks for biodiversity with tested Methods

Settele, Josef, Hammen, Volker, Hulme, Phil, Karlson, Ulrich, Klotz, Stefan, Kotarac, Mladen, Kunin, William, Marion, Glenn, O'Connor, Martin, Petanidou, Theodora, Peterson, Kaja, Potts, Simon, Pritch

Journal:

GAIA - Ecological Perspectives for Science and Society

Year:

2005

Language:

english

File:

PDF, 511 KB

english, 2005

13

Understanding Ground- and Excited-State Properties of Perylene Tetracarboxylic Acid Bisimide Crystals by Means of Quantum Chemical Computations

Zhao, Hong-Mei, Pfister, Johannes, Settels, Volker, Renz, Manuel, Kaupp, Martin, Dehm, Volker C., Würthner, Frank, Fink, Reinhold F., Engels, Bernd

Journal:

Journal of the American Chemical Society

Year:

2009

Language:

english

File:

PDF, 1.99 MB

english, 2009

14

Störprozesse in organischen Solarzellen

Walter, Christof, Krämer, Veronika, Settels, Volker, Engels, Bernd

Journal:

Chemie in unserer Zeit

Year:

2013

Language:

german

File:

PDF, 117 KB

german, 2013

15

Identification of Ultrafast Relaxation Processes As a Major Reason for Inefficient Exciton Diffusion in Perylene-Based Organic Semiconductors

Settels, Volker, Schubert, Alexander, Tafipolski, Maxim, Liu, Wenlan, Stehr, Vera, Topczak, Anna K., Pflaum, Jens, Deibel, Carsten, Fink, Reinhold F., Engel, Volker, Engels, Bernd

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 2.72 MB

english, 2014

16

Theoretical Analysis of the Relaxation Dynamics in Perylene Bisimide Dimers Excited by Femtosecond Laser Pulses

Schubert, Alexander, Falge, Mirjam, Kess, Martin, Settels, Volker, Lochbrunner, Stefan, Strunz, Walter T., Würthner, Frank, Engels, Bernd, Engel, Volker

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 779 KB

english, 2014

17

Correction to Analyzing Learned Molecular Representations for Property Prediction

Yang, Kevin, Swanson, Kyle, Jin, Wengong, Coley, Connor, Eiden, Philipp, Gao, Hua, Guzman-Perez, Angel, Hopper, Timothy, Kelley, Brian, Mathea, Miriam, Palmer, Andrew, Settels, Volker, Jaakkola, Tommi

Journal:

Journal of Chemical Information and Modeling

Year:

2019

File:

PDF, 748 KB

2019

18

Agricultural landscapes and ecosystem services in South-East Asia—the LEGATO-Project

Settele, Josef, Spangenberg, Joachim H., Heong, Kong Luen, Burkhard, Benjamin, Bustamante, Jesus Victor, Cabbigat, Jimmy, Van Chien, Ho, Escalada, Monina, Grescho, Volker, Hai, Le Huu, Harpke, Alexand

Journal:

Basic and Applied Ecology

Year:

2015

Language:

english

File:

PDF, 1.01 MB

english, 2015

19

The Conformations of 13-Vertex ML 2 C 2 B 10 Metallacarboranes: Experimental and Computational Studies

Dalby, Kelly J., Ellis, David, Erhardt, Stefan, McIntosh, Ruaraidh D., Macgregor, Stuart A., Rae, Karen, Rosair, Georgina M., Settels, Volker, Welch, Alan J., Hodson, Bruce E., McGrath, Thomas D., Sto

Journal:

Journal of the American Chemical Society

Year:

2007

Language:

english

File:

PDF, 708 KB

english, 2007

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