Setten, Michiel J. van: search on Z-Library

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1

Thermodynamic Stability of Boron: The Role of Defects and Zero Point Motion

van Setten, Michiel J., Uijttewaal, Matthé A., de Wijs, Gilles A., de Groot, Robert A.

Journal:

Journal of the American Chemical Society

Year:

2007

Language:

english

File:

PDF, 301 KB

english, 2007

2

LiBH 4 −Mg(BH 4 ) 2 : A Physical Mixture of Metal Borohydrides as Hydrogen Storage Material

Bardají, Elisa Gil, Zhao-Karger, Zhirong, Boucharat, Nancy, Nale, Angeloclaudio, van Setten, Michiel J., Lohstroh, Wiebke, Röhm, Eva, Catti, Michele, Fichtner, Maximilian

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 1.43 MB

english, 2011

3

Polarization-dependent Raman spectroscopy of LiBH4 single crystals and Mg(BH4)2 powders

Florian Gebert, Britta Willenberg, Michiel J. van Setten, Elisa G. Bardají, Eva Roehm, Maximilian Fichtner, Joachim Schoenes

Journal:

Journal of Raman Spectroscopy

Year:

2011

Language:

english

File:

PDF, 355 KB

english, 2011

4

Influence of Noxon soot combustion with supported molten salt catalysts

Barry A. A. L. van Setten, Paola Russo, Sytse J. Jelles, Michiel Makkee, Paolo Ciambelli, Jacob A. Moulijn

Journal:

Reaction Kinetics, Mechanisms and Catalysis

Year:

1999

Language:

english

File:

PDF, 266 KB

english, 1999

5

The influence of NOx on soot oxidation rate: molten salt versus platinum

Agus Setiabudi, Barry A.A.L van Setten, Michiel Makkee, Jacob A Moulijn

Journal:

Applied Catalysis B: Environmental

Year:

2002

Language:

english

File:

PDF, 124 KB

english, 2002

6

A Density Functional Study of α-Mg(BH4)2

Wijs, Gilles A. de, Fichtner, Maximilian, Brocks, Geert, Setten, Michiel J. van

Journal:

Chemistry of Materials

Year:

2008

Language:

english

File:

PDF, 168 KB

english, 2008

7

First-principles calculations of the crystal structure, electronic structure, and thermodynamic stability of Be(BH4)2

van Setten, Michiel, de Wijs, Gilles, Brocks, Geert

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 319 KB

english, 2008

8

Prolonged in vivo residence times of llama single-domain antibody fragments in pigs by binding to porcine immunoglobulins

Michiel M. Harmsen, Conny B. Van Solt, Helmi P.D. Fijten, Marga C. Van Setten

Journal:

Year:

2005

Language:

english

File:

PDF, 178 KB

english, 2005

9

Science and technology of catalytic diesel particulate filters

van Setten, Barry A. A. L., Makkee, Michiel, Moulijn, Jacob A.

Journal:

Catalysis Reviews

Year:

2001

Language:

english

File:

PDF, 1.16 MB

english, 2001

10

Binding in alkali and alkaline-earth tetrahydroborates: Special position of magnesium tetrahydroborate

Łodziana, Zbigniew, van Setten, Michiel J.

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 1.66 MB

english, 2010

11

First-principles study of the optical properties of

van Setten, Michiel J., Er, Süleyman, Brocks, Geert, de Groot, Robert A., de Wijs, Gilles A.

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 476 KB

english, 2009

12

Ab initio study of the effects of transition metal doping of

van Setten, Michiel J., de Wijs, Gilles A., Brocks, Geert

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 187 KB

english, 2007

13

First-principles modelling of magnesium titanium hydrides

Er, Süleyman, van Setten, Michiel J, de Wijs, Gilles A, Brocks, Geert

Journal:

Journal of Physics Condensed Matter

Year:

2010

Language:

english

File:

PDF, 1.30 MB

english, 2010

14

GW 100: Benchmarking G0W0 for molecular systems

van Setten, Michiel Jan, Caruso, Fabio, Sharifzadeh, Sahar, Ren, Xinguo, Scheffler, Matthias, Liu, Fang, Lischner, Johannes, Lin, Lin, Deslippe, Jack R., Louie, Steven G., Yang, Chao, Weigend, Florian

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 734 KB

english, 2015

15

Quasi-Particle Self-Consistent GW for Molecules.

Kaplan, Ferdinand, Harding, Michael E., Seiler, Christian, Weigend, Florian, Evers, F., van Setten, Michiel Jan

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 3.48 MB

english, 2016

16

Benchmark of GW approaches for the GW 100 testset

Caruso, Fabio, Dauth, Matthias, van Setten, Michiel Jan, Rinke, Patrick

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 2.04 MB

english, 2016

17

Exome Array Analysis of Susceptibility to Pneumococcal Meningitis

Kloek, Anne T., van Setten, Jessica, van der Ende, Arie, Bots, Michiel L., Asselbergs, Folkert W., Serón, Mercedes Valls, Brouwer, Matthijs C., van de Beek, Diederik, Ferwerda, Bart

Journal:

Scientific Reports

Year:

2016

Language:

english

File:

PDF, 397 KB

english, 2016

18

High-Throughput Design of Non-oxide p-Type Transparent Conducting Materials: Data Mining, Search Strategy, and Identification of Boron Phosphide

Varley, Joel B., Miglio, Anna, Ha, Viet-Anh, van Setten, Michiel J., Rignanese, Gian-Marco, Hautier, Geoffroy

Journal:

Chemistry of Materials

Year:

2017

Language:

english

File:

PDF, 1.47 MB

english, 2017

19

GW 100: A Plane Wave Perspective for Small Molecules

Maggio, Emanuele, Liu, Peitao, van Setten, Michiel J., Kresse, Georg

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 495 KB

english, 2017

20

including dispersion forces: Stability and related vibrational, dielectric, and elastic properties

Van Troeye, Benoit, van Setten, Michiel Jan, Giantomassi, Matteo, Torrent, Marc, Rignanese, Gian-Marco, Gonze, Xavier

Journal:

Physical Review B

Year:

2017

Language:

english

File:

PDF, 3.47 MB

english, 2017

21

Benchmarking the Fundamental Electronic Properties of small TiO 2 Nanoclusters by GW and Coupled Cluster Theory Calculations

Berardo, Enrico, Kaplan, Ferdinand, Bhaskaran-Nair, Kiran, Shelton, William A., van Setten, Michiel J., Kowalski, Karol, Zwijnenburg, Martijn A.

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 2.24 MB

english, 2017

22

Assessing GW approaches for predicting core level binding energies

van Setten, Michiel J., Costa, Ramon, Viñes, Francesc, Illas, Francesc

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 464 KB

english, 2018

23

High-throughput density-functional perturbation theory phonons for inorganic materials

Petretto, Guido, Dwaraknath, Shyam, P.C. Miranda, Henrique, Winston, Donald, Giantomassi, Matteo, van Setten, Michiel J., Gonze, Xavier, Persson, Kristin A., Hautier, Geoffroy, Rignanese, Gian-Marco

Journal:

Scientific Data

Year:

2018

Language:

english

File:

PDF, 961 KB

english, 2018

24

Core-Level Binding Energies from GW : An Efficient Full-Frequency Approach within a Localized Basis

Golze, Dorothea, Wilhelm, Jan, van Setten, Michiel J., Rinke, Patrick

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 2.20 MB

english, 2018

25

Incommensurate Quantum Size Oscillations of Oligoacene Wires Adsorbed on Au(111)

van Setten, Michiel J., Xenioti, Dimitra, Alouani, Mébarek, Evers, Ferdinand, Korytár, Richard

Journal:

The Journal of Physical Chemistry C

Year:

2019

File:

PDF, 3.67 MB

2019

26

Incommensurate Quantum Size Oscillations of Oligoacene Wires Adsorbed on Au(111)

van Setten, Michiel J., Xenioti, Dimitra, Alouani, Mébarek, Evers, Ferdinand, Korytár, Richard

Journal:

The Journal of Physical Chemistry C

Year:

2019

Language:

english

File:

PDF, 3.67 MB

english, 2019

27

Exome-chip association analysis of intracranial aneurysms

van 't Hof, Femke N.G., Lai, Dongbing, van Setten, Jessica, Bots, Michiel L., Vaartjes, Ilonca, Broderick, Joseph, Woo, Daniel, Foroud, Tatiana, Rinkel, Gabriel J.E., de Bakker, Paul I.W., Ruigrok, Yn

Journal:

Year:

2019

Language:

english

File:

PDF, 190 KB

english, 2019

28

Exome-chip association analysis of intracranial aneurysms

van 't Hof, Femke N.G., Lai, Dongbing, van Setten, Jessica, Bots, Michiel L., Vaartjes, Ilonca, Broderick, Joseph, Woo, Daniel, Foroud, Tatiana, Rinkel, Gabriel J.E., de Bakker, Paul I.W., Ruigrok, Yn

Journal:

Year:

2019

File:

PDF, 190 KB

2019

29

calculations for solids

Rangel, Tonatiuh, Ben, Mauro Del, Varsano, Daniele, Antonius, Gabriel, Bruneval, Fabien, da Jornada, Felipe H., van Setten, Michiel J., Orhan, Okan K., OâRegan, David D., Canning, Andrew, Ferretti,

Journal:

Computer Physics Communications

Year:

2020

File:

PDF, 1.04 MB

2020