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1

Molecular Dynamics Simulations of Perfluoropolyether Lubricant Degradation in the Presence of Oxygen, Water, and Oxide Nanoparticles using a ReaxFF Reactive Force Field

Lotfi, Roghayyeh, van Duin, Adri C. T., Biswas, Mousumi Mani

Journal:

The Journal of Physical Chemistry C

Année:

2018

Langue:

english

Fichier:

PDF, 8.89 MB

english, 2018

2

Multiple myeloma

Kumar, Shaji K., Rajkumar, Vincent, Kyle, Robert A., van Duin, Mark, Sonneveld, Pieter, Mateos, María-Victoria, Gay, Francesca, Anderson, Kenneth C.

Journal:

Nature Reviews Disease Primers

Année:

2017

Langue:

english

Fichier:

PDF, 985 KB

english, 2017

3

Assessment of teacher competence using video portfolios: Reliability, construct validity, and consequential validity

Wilfried Admiraal, Mark Hoeksma, Marie-Thérèse van de Kamp, Gee van Duin

Journal:

Teaching and Teacher Education

Année:

2011

Langue:

english

Fichier:

PDF, 458 KB

english, 2011

4

Sexual abuse in very young children: a psychological assessment in the Amsterdam Sexual Abuse Case study

van Duin, Esther M., Verlinden, Eva, Vrolijk-Bosschaart, Thekla F., Diehle, Julia, Verhoeff, Arnoud P., Brilleslijper-Kater, Sonja N., Lindauer, Ramón J.L.

Journal:

European Journal of Psychotraumatology

Année:

2018

Langue:

english

Fichier:

PDF, 1.92 MB

english, 2018

5

The evolution of innovation management towards contextual innovation

Ortt, J. Roland, van der Duin, Patrick A.

Journal:

European Journal of Innovation Management

Année:

2008

Langue:

english

Fichier:

PDF, 98 KB

english, 2008

6

Oxidation of Silicon Carbide by O 2 and H 2 O: A ReaxFF Reactive Molecular Dynamics Study, Part I

Newsome, David A., Sengupta, Debasis, Foroutan, Hosein, Russo, Michael F., van Duin, Adri C. T.

Journal:

The Journal of Physical Chemistry C

Année:

2012

Langue:

english

Fichier:

PDF, 2.84 MB

english, 2012

7

Will Automotive Be the Future of Mobility? Striving for Six Zeros

Rieck, Frank, Machielse, Kees, van Duin, Ron

Journal:

World Electric Vehicle Journal

Année:

2020

Langue:

english

Fichier:

PDF, 11.85 MB

english, 2020

8

How efficient is city logistics? Estimating ecological footprints for urban freight deliveries

Jesús Muñuzuri, J.H.R. van Duin, Alejandro Escudero

Journal:

Procedia - Social and Behavioral Sciences

Année:

2010

Langue:

english

Fichier:

PDF, 280 KB

english, 2010

9

Strategies for compatibilization of polymer blends

Cor Koning, Martin Van Duin, Christophe Pagnoulle, Robert Jerome

Journal:

Progress in Polymer Science

Année:

1998

Langue:

english

Fichier:

PDF, 3.56 MB

english, 1998

10

Contextual Innovation Management Using a Stage-Gate Platform: The Case of Philips Shaving and Beauty

van der Duin, Patrick A., Ortt, J. Roland, Aarts, Wieger T. M.

Journal:

Journal of Product Innovation Management

Année:

2014

Langue:

english

Fichier:

PDF, 427 KB

english, 2014

11

Delft molecular mechanics: a new approach to hydrocarbon force fields. Inclusion of a geometry-dependent charge calculation

van Duin, Adri C. T., Baas, Jan M. A., van de Graaf, Bastiaan

Journal:

Journal of the Chemical Society Faraday Transactions

Année:

1994

Langue:

english

Fichier:

PDF, 1.61 MB

english, 1994

12

Smartphone use and work-home interference: The moderating role of social norms and employee work engagement

Derks, Daantje, van Duin, Desiree, Tims, Maria, Bakker, Arnold B.

Journal:

Journal of Occupational and Organizational Psychology

Année:

2015

Langue:

english

Fichier:

PDF, 296 KB

english, 2015

13

Removal of Non-original Transparent Coatings on a Dutch Lacquer Cabinet

Andersson, Elise, van Duin, Paul

Journal:

Studies in Conservation

Année:

2019

Langue:

english

Fichier:

PDF, 4.81 MB

english, 2019

14

Suicide prevention: Using the number of health complaints as an indirect alternative for screening suicidal adolescents

Heinz, Andreas, Catunda, Carolina, van Duin, Claire, Willems, Helmut

Journal:

Journal of Affective Disorders

Année:

2020

Langue:

english

Fichier:

PDF, 382 KB

english, 2020

15

Nutrient leaching behavior of green roofs: Laboratory and field investigations

Akther, Musa, He, Jianxun, Chu, Angus, van Duin, Bert

Journal:

Science of The Total Environment

Année:

2021

Fichier:

PDF, 2.92 MB

2021

16

Acuity card testing in children with cerebral palsy related to magnetic resonance images, mental levels and motor abilities

Anna E. Ipata, Giovanni Cioni, Paola Bottai, Barbara Fazzi, Raffaello Canapicchi, Jackie Van Hof-Van Duin

Journal:

Brain and Development

Année:

1994

Langue:

english

Fichier:

PDF, 1.16 MB

english, 1994

17

Combustion of 1,5-Dinitrobiuret (DNB) in the Presence of Nitric Acid Using ReaxFF Molecular Dynamics Simulations

Russo, Michael F., Bedrov, Dmitry, Singhai, Shashank, van Duin, Adri C. T.

Journal:

Journal of Physical Chemistry A

Année:

2013

Langue:

english

Fichier:

PDF, 3.63 MB

english, 2013

18

Coupled Thermal and Electromagnetic Induced Decomposition in the Molecular Explosive αHMX; A Reactive Molecular Dynamics Study

Wood, Mitchell A., van Duin, Adri C. T., Strachan, Alejandro

Journal:

Journal of Physical Chemistry A

Année:

2014

Langue:

english

Fichier:

PDF, 2.48 MB

english, 2014

19

Development of a ReaxFF potential for Pd∕O and application to palladium oxide formation

Senftle, Thomas P., Meyer, Randall J., Janik, Michael J., van Duin, Adri C. T.

Journal:

The Journal of Chemical Physics

Année:

2013

Langue:

english

Fichier:

PDF, 3.66 MB

english, 2013

20

Atomic Insight into the Lithium Storage and Diffusion Mechanism of SiO 2 /Al 2 O 3 Electrodes of Lithium Ion Batteries: ReaxFF Reactive Force Field Modeling

Ostadhossein, Alireza, Kim, Sung-Yup, Cubuk, Ekin D., Qi, Yue, van Duin, Adri C. T.

Journal:

Journal of Physical Chemistry A

Année:

2016

Langue:

english

Fichier:

PDF, 5.58 MB

english, 2016

21

Atomistic-Scale Analysis of Carbon Coating and Its Effect on the Oxidation of Aluminum Nanoparticles by ReaxFF-Molecular Dynamics Simulations

Hong, Sungwook, van Duin, Adri C. T.

Journal:

The Journal of Physical Chemistry C

Année:

2016

Langue:

english

Fichier:

PDF, 6.97 MB

english, 2016

22

Atomistic Adsorption of Oxygen and Hydrogen on Platinum Catalysts by Hybrid Grand Canonical Monte Carlo/Reactive Molecular Dynamics

Gai, Lili, Shin, Yun Kyung, Raju, Muralikrishna, van Duin, Adri C. T., Raman, Sumathy

Journal:

The Journal of Physical Chemistry C

Année:

2016

Langue:

english

Fichier:

PDF, 5.48 MB

english, 2016

23

Selected Studies in Old Testament Exegesis

Emerton, J. A., de Boer, P. A. H., van Duin, C.

Journal:

Vetus Testamentum

Année:

1993

Langue:

english

Fichier:

PDF, 373 KB

english, 1993

24

A controlled method to flatten warped wooden panels

van Gerven, Gert, Ankersmit, Bart, van Duin, Paul H.J.C., Jorissen, André, Schellen, Henk

Journal:

Studies in Conservation

Année:

2016

Langue:

english

Fichier:

PDF, 2.38 MB

english, 2016

25

City Logistics (Network Modelling and Intelligent Transport Systems) || Location of logistics terminals

Taniguchi, Eiichi, Thompson, Russell G, Yamada, Tadashi, van Duin, Ron

Année:

2001

Langue:

english

Fichier:

PDF, 806 KB

english, 2001

26

The Tone from above: The Effect of Communicating a Supportive Regulatory Strategy on Reporting Quality

DUIN, SANNE R. VAN, DEKKER, HENRI C., WIELHOUWER, JACCO L., MENDOZA, JUAN P.

Journal:

Journal of Accounting Research

Année:

2018

Langue:

english

Fichier:

PDF, 1.59 MB

english, 2018

27

Opportunities for peak shaving the energy demand of ship-to-shore quay cranes at container terminals

Geerlings, Harry, Heij, Robert, van Duin, Ron

Journal:

Journal of Shipping and Trade

Année:

2018

Langue:

english

Fichier:

PDF, 2.92 MB

english, 2018

28

Molecular dynamic simulation of aluminum–water reactions using the ReaxFF reactive force field

Michael F. Russo Jr., Rong Li, Matthew Mench, Adri C.T. van Duin

Journal:

International Journal of Hydrogen Energy

Année:

2011

Langue:

english

Fichier:

PDF, 1.11 MB

english, 2011

29

Atomistic-scale simulations of chemical reactions: Bridging from quantum chemistry to engineering

Michael F. Russo Jr., Adri C.T. van Duin

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Année:

2011

Langue:

english

Fichier:

PDF, 966 KB

english, 2011

30

A new method for assessing CO2-emissions from container terminals: a promising approach applied in Rotterdam

Harry Geerlings, Ron van Duin

Journal:

Journal of Cleaner Production

Année:

2011

Langue:

english

Fichier:

PDF, 1.28 MB

english, 2011

31

Dimensionality reduction of image features using the canonical contextual correlation projection

Marco Loog, Bram van Ginneken, Robert P.W. Duin

Journal:

Pattern Recognition

Année:

2005

Langue:

english

Fichier:

PDF, 508 KB

english, 2005

32

Effect of polyolefin structrure on maleic anhydride grafting

A.V Machado, J.A Covas, M van Duin

Journal:

Année:

2001

Langue:

english

Fichier:

PDF, 243 KB

english, 2001

33

Studies on borate esters 1 : The ph dependence of the stability of esters of boric acid and borate in aqueous medium as studied by 11B NMR

M. Van Duin, J.A. Peters, A.P.G. Kieboom, H. Van Bekkum

Journal:

Année:

1984

Langue:

english

Fichier:

PDF, 575 KB

english, 1984

34

Structures, Mechanisms, and Kinetics of Selective Ammoxidation and Oxidation of Propane over Multi-metal Oxide Catalysts

William A. Goddard, Kimberly Chenoweth, Sanja Pudar, Adri C. T. van Duin, Mu-Jeng Cheng

Journal:

Topics in Catalysis

Année:

2008

Langue:

english

Fichier:

PDF, 1.04 MB

english, 2008

35

Recent progress on programming methods for industrial robots

Zengxi Pan, Joseph Polden, Nathan Larkin, Stephen Van Duin, John Norrish

Journal:

Robotics and Computer-Integrated Manufacturing

Année:

2012

Langue:

english

Fichier:

PDF, 745 KB

english, 2012

36

Rhizosphere bacteria from sites with higher fungal densities exhibit greater levels of potential antifungal properties

Wietse de Boer, Annelies S. de Ridder-Duine, Paulien J.A. Klein Gunnewiek, Wiecher Smant, Johannes A. Van Veen

Journal:

Soil Biology and Biochemistry

Année:

2008

Langue:

english

Fichier:

PDF, 100 KB

english, 2008

37

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

Chenoweth, Kimberly, van Duin, Adri C. T., Goddard, William A.

Journal:

Journal of Physical Chemistry A

Année:

2008

Langue:

english

Fichier:

PDF, 821 KB

english, 2008

38

Treatment and outcomes in carbapenem-resistant Klebsiella pneumoniae bloodstream infections

Elizabeth A. Neuner, Jun-Yen Yeh, Gerri S. Hall, Jennifer Sekeres, Andrea Endimiani, Robert A. Bonomo, Nabin K. Shrestha, Thomas G. Fraser, David van Duin

Journal:

Diagnostic Microbiology and Infectious Disease

Année:

2011

Langue:

english

Fichier:

PDF, 180 KB

english, 2011

39

GenCLOn: An ontology for city logistics

Nilesh Anand, Mengchang Yang, J.H.R. van Duin, Lori Tavasszy

Journal:

Expert Systems with Applications

Année:

2012

Langue:

english

Fichier:

PDF, 2.40 MB

english, 2012

40

To govern is to foresee: An exploratory study into the relationship between futures research and strategy and policy processes at Dutch ministries

Patrick van der Duin, Robert van Oirschot, Harry Kotey, Eelco Vreeling

Journal:

Année:

2009

Langue:

english

Fichier:

PDF, 172 KB

english, 2009

41

Learning ahead of time: how evaluation of foresight may add to increased trust, organizational learning and future oriented policy and strategy

Martijn Van der Steen, Patrick Van der Duin

Journal:

Année:

2012

Langue:

english

Fichier:

PDF, 192 KB

english, 2012

42

Reactive adsorption of ammonia and ammonia∕water on CuBTC metal-organic framework: A ReaxFF molecular dynamics simulation

Huang, Liangliang, Bandosz, Teresa, Joshi, Kaushik L., van Duin, Adri C. T., Gubbins, Keith E.

Journal:

The Journal of Chemical Physics

Année:

2013

Langue:

english

Fichier:

PDF, 3.44 MB

english, 2013

43

Reactive Dynamics Study of Hypergolic Bipropellants: Monomethylhydrazine and Dinitrogen Tetroxide

Liu, Yi, Zybin, Sergey V., Guo, Jiaqi, van Duin, Adri C. T., Goddard, William A.

Journal:

Journal of Physical Chemistry B

Année:

2012

Langue:

english

Fichier:

PDF, 2.98 MB

english, 2012

44

Reactions of Singly-Reduced Ethylene Carbonate in Lithium Battery Electrolytes: A Molecular Dynamics Simulation Study Using the ReaxFF

Bedrov, Dmitry, Smith, Grant D., van Duin, Adri C. T.

Journal:

Journal of Physical Chemistry A

Année:

2012

Langue:

english

Fichier:

PDF, 4.40 MB

english, 2012

45

Toward networked foresight? Exploring the use of futures research in innovation networks

van der Duin, Patrick, Heger, Tobias, Schlesinger, Maximilian D.

Journal:

Année:

2014

Langue:

english

Fichier:

PDF, 727 KB

english, 2014

46

Reactive Molecular Dynamics Simulation of Fullerene Combustion Synthesis: ReaxFF vs DFTB Potentials

Qian, Hu-Jun, van Duin, Adri C. T., Morokuma, Keiji, Irle, Stephan

Journal:

Journal of Chemical Theory and Computation

Année:

2011

Langue:

english

Fichier:

PDF, 4.14 MB

english, 2011

47

Reactive forcefield for simulating gold surfaces and nanoparticles

Keith, John A., Fantauzzi, Donato, Jacob, Timo, van Duin, Adri C. T.

Journal:

Physical Review B

Année:

2010

Langue:

english

Fichier:

PDF, 794 KB

english, 2010

48

Development of a ReaxFF reactive force field for intrinsic point defects in titanium dioxide

Huygh, Stijn, Bogaerts, Annemie, van Duin, Adri C.T., Neyts, Erik C.

Journal:

Computational Materials Science

Année:

2014

Langue:

english

Fichier:

PDF, 3.32 MB

english, 2014

49

A reactive force field for aqueous-calcium carbonate systems

Gale, Julian D., Raiteri, Paolo, van Duin, Adri C. T.

Journal:

Physical Chemistry Chemical Physics

Année:

2011

Langue:

english

Fichier:

PDF, 8.66 MB

english, 2011

50

The Cyclic Innovation Model: A New Challenge for a Regional Approach to Innovation Systems?

Van Der Duin, Patrick, Ortt, Roland, Kok, Matthijs

Journal:

European Planning Studies

Année:

2007

Langue:

english

Fichier:

PDF, 1.32 MB

english, 2007