PUBLICATIONS

Evert Jan Meijer

X. Liu, X.C. Lu, E.J. Meijer, R.C. Wang, H.Q. Zhou, Atomic-scale structures of interfaces between phyllosilicate edges and water,
Geochimica et Cosmochimica Acta 81, 56–68 (2012).
http://dx.doi.org/10.1016/j.gca.2011.12.009
F. Colonna, A. Fasolino, and E.J. Meijer, Structure and thermodynamic stability of carbon clathrates: a Monte Carlo study,
Accepted for publication in Solid State Commun. (2011).
http://dx.doi.org/10.1016/j.ssc.2011.11.011
X. Liu, X.C. Lu, R.C. Wang, E.J. Meijer, and H.Q. Zhou, Acidities of confined water in interlayer space of clay minerals,
Geochimica et Cosmochimica Acta 75, 4978-4986 (2011).
http://dx.doi.org/10.1016/j.gca.2011.06.011
F. Colonna, A. Fasolino, and E.J. Meijer, High-pressure high-temperature equation of state of graphite from Monte Carlo simulations,
Carbon 49, 364–368 (2011).
http://dx.doi.org/10.1016/j.carbon.2010.09.029
X. Liu, X. Lu, R. Wang, E.J. Meijer, Understanding hydration of Zn(2+) in hydrothermal fluids with ab initio molecular dynamics,
Phys. Chem. Chem. Phys. 13, 13305-13309 (2011).
http://dx.doi.org/10.1039/c0cp03005h
X. Liu, X. Lu, E.J. Meijer, and R. Wang, Hydration mechanisms of Cu2+: tetra-, penta- or hexa-coordinated?,
Phys. Chem. Chem. Phys. 12, 10801–10804 (2010).
http://dx.doi.org/10.1039/c001916j
L.M. Ghiringhelli and E.J. Meijer, Liquid carbon: Freezing line and structure near freezing, in L. Colombo and A. Fasolino, eds., Computer-based modeling of novel carbon systems (other than nanotubes), and their properties, Springer Series on Carbon Materials: Chemistry and Physics, Vol. 3, 1–36 (Springer, 2010).
http://dx.doi.org/10.1007/978-1-4020-9718-8_1.
X. Liu, E.J. Meijer, X. Lu, and R. Wang, Ab initio molecular dynamics study of iron-containing smectites,
Clays and Clay Minerals 58, 89–96 (2010).
http://dx.doi.org/10.1346/CCMN.2010.0580109
X. Liu, X.C. Lu, E.J. Meijer, R.C. Wang, and H.Q. Zhou, Acid dissociation mechanism of Si(OH)₄ and Al(H2O)₆³⁺ in aqueous solution,
Geochimica et Cosmochimica Acta 74, 510–516 (2010).
http://dx.doi.org/10.1016/j.gca.2009.10.032
F. Colonna, J.H. Los, A. Fasolino, and E.J. Meijer, Properties of graphite at melting from multilayer thermodynamic integration,
Phys. Rev. B. 80, 134103 (2009).
http://dx.doi.org/10.1103/PhysRevB.80.134103
T.T. Trinh, A.P.J. Jansen, R.A. van Santen, J. VandeVondele, and E.J. Meijer, Effect of Counter Ions on the Silica Oligomerization Reaction.
Chem. Phys. Chem. 10, 1775–1782 (2009).
http://dx.doi.org/10.1002/cphc.200900006
T.T. Trinh, A.P.J. Jansen, R.A. van Santen, and E.J. Meijer, The Role Of Water In Silica Oligomerization Reaction,
Phys. Chem. Chem. Phys. 11, 5092–5099 (2009).
http://dx.doi.org/10.1039/b819817a
X. Liu and E.J. Meijer, Mechanism of base-promoted dehydrochlorination of pentachloroethane: concerted or stepwise,
J. Phys. Chem. A 113, 3542-3544 (2009).
http://dx.doi.org/10.1021/jp900944g
T.T. Trinh, A.P.J. Jansen, R.A. van Santen, and E.J. Meijer, Role of Water in Silica Oligomerization,
J. Phys. Chem. C 113, 2647–2652 (2009).
http://dx.doi.org/10.1021/jp076372c
L.M. Ghiringhelli, C. Valeriani, J.H. Los, E. J. Meijer, A. Fasolino, and D. Frenkel, State-of-the-art models for the phase diagram of carbon and diamond nucleation,
Mol. Phys. 106, 2011–2038 (2008).
http://dx.doi.org/10.1080/00268970802077884
E.J.M. Leenders, P.G. Bolhuis, and E.J. Meijer, Microscopic picture of the aqueous solvation of glutamic acid,
J. Chem. Theory Comput. 4, 898–907 (2008).
http://dx.doi.org/10.1021/ct700344f
E.J.M. Leenders, J. VandeVondele, P.G. Bolhuis, and E.J. Meijer, Solvation of p-Coumaric Acid in Water,
J. Phys. Chem. B 111, 13591–13599 (2007).
http://dx.doi.org/10.1021/jp075341e
L.M. Ghiringhelli and E. J. Meijer, Simulating the phosphorus fluid-liquid phase transition transition up to the critical point,
J. Phys.: Condens. Matter 19, 416104 (2007).
http://dx.doi.org/10.1088/0953-8984/19/41/416104
L.M. Ghiringhelli, C. Valeriani, E. J. Meijer, and D. Frenkel, Local structure of liquid carbon controls diamond nucleation,
Phys. Rev. Lett. 99, 055702 (2007). Cover Article
http://dx.doi.org/10.1103/PhysRevLett.99.055702
E.J.M. Leenders, L. Guidoni, U. Röthlisberger, J. Vreede, P. G. Bolhuis, and E. J. Meijer, Protonation of the chromophore in the photoactive yellow protein,
J. Phys. Chem. B 111, 3765–3773 (2007).
http://dx.doi.org/10.1021/jp067158b
J.-W. Handgraaf and E.J. Meijer Realistic Modeling of Ruthenium Catalyzed Transfer Hydrogenation,
J. Am. Chem. Soc. 129, 3099–3103 (2007).
http://dx.doi.org/10.1021/ja062359e
T. Murakhtina, J.M. Heuft, E. J. Meijer, and D. Sebastiani, First Principles and Experimental 1H NMR Signatures of Solvated Ions: The Case of HCl(aq),
Chem. Phys. Chem. 7, 2578–2584 (2006).
http://dx.doi.org/10.1002/cphc.200600385
J.M. Heuft and E.J. Meijer, A density functional theory based study of the microscopic structure and dynamics of aqueous HCl solutions,
Phys. Chem. Chem. Phys. 8, 3116–3123 (2006).
http://dx.doi.org/10.1039/b603059a
J. Vandevondele, R. Lynden-Bell, E.J. Meijer, and M. Sprik, Density functional theory study of tetrathiafulvalene and thianthrene in acetonitrile: structure, dynamics and redox properties,
J. Phys. Chem. B 110, 3614–3623 (2006).
http://dx.doi.org/10.1021/jp054841+
L.M. Ghiringhelli, J.H. Los, A. Fasolino, and E.J. Meijer, Improved long range reactive bond order potential for carbon (LCBOPII) Part II: Molecular Simulation of Liquid Carbon,
Phys. Rev. B. 72, 214103 (2005).
http://dx.doi.org/10.1103/PhysRevB.72.214103
J.H. Los, L.M. Ghiringhelli, E.J. Meijer, A. Fasolino, Improved long range reactive bond order potential for carbon (LCBOPII). Part I: Construction,
Phys. Rev. B. 72, 214102 (2005).
http://dx.doi.org/10.1103/PhysRevB.72.214102
Erratum, Phys. Rev. B 73, 229901 (2006).
http://dx.doi.org/10.1103/PhysRevB.73.229901
L.M. Ghiringhelli, J.H. Los, E.J. Meijer, A. Fasolino, and D. Frenkel, Liquid Carbon: Structure near the Freezing Line,
J. Phys.; Cond. Matt. 17, S3619 (2005).
http://dx.doi.org/10.1088/0953-8984/17/45/056
J.M. Heuft and E.J. Meijer, Density functional theory based molecular dynamics study of aqueous iodide solvation
J. Chem. Phys. 123, 094506 (2005).
http://dx.doi.org/10.1063/1.2013209
L.M. Ghiringhelli, J.H. Los, E.J. Meijer A. Fasolino, and D. Frenkel, Modeling the phase diagram of carbon
Phys. Rev. Lett. 94, 145701 (2005). (Appeared as an item in Research Highlights of Nature 434, 1084 (2005)).
http://dx.doi.org/10.1103/PhysRevLett.94.145701
L.M. Ghiringhelli and E.J. Meijer, Phosphorus: First Principle Simulation of a Liquid-Liquid Phase Transition
J. Chem. Phys., 122 184510 (2005).
http://dx.doi.org/10.1063/1.1895717
J.M. Heuft and E.J. Meijer, DFT-based molecular dynamics study of aqueous fluoride solvation,
J. Chem. Phys. 122, 094501 (2005).
http://dx.doi.org/10.1063/1.1853352
J.-W. Handgraaf, M.-P. Gaigeot, and E.J. Meijer, DFT-based Molecular Simulation Study of Liquid Methanol,
J. Chem. Phys. 121, 10111–10119 (2004).
http://dx.doi.org/10.1063/1.1809595
L.M. Ghiringhelli, J.H. Los, E.J. Meijer A. Fasolino, and D. Frenkel, High pressure diamond-like liquid carbon,
Phys. Rev. B 69, 100101(R) (2004).
http://dx.doi.org/10.1103/PhysRevB.69.100101
T.S. van Erp and E.J. Meijer, Proton Assisted Ethylene Hydration in Aqueous Solution,
Angew. Chem. Int. Ed. 43, 1660–1662 (2004).
http://dx.doi.org/10.1002/anie.200353103
J.M. Heuft and E.J. Meijer, DFT-based molecular dynamics study of aqueous chloride solvation,
J. Chem. Phys. 119, 11788–11791 (2003).
http://dx.doi.org/10.1063/1.1624362
J.-W. Handgraaf, J.N.H. Reek, and E.J. Meijer, Iridium(I) versus Ruthenium(II). A Computational Study of the Transition Metal Catalyzed Transfer Hydrogenation of Ketones,
Organnometallics 22, 3150-3157 (2003).
http://dx.doi.org/10.1021/om030104t
T.S. van Erp and E.J. Meijer, Ab Initio Molecular Dynamics Study of Aqueous Solvation of Ethanol and Ethylene,
J. Chem. Phys. 118, 8831 (2003).
http://dx.doi.org/10.1063/1.1567258
P.G. Bolhuis, E.J. Meijer, and A.A. Louis, Colloid-polymer mixtures in the protein limit
Phys. Rev. Lett. 90, 068304 (2003).
http://dx.doi.org/10.1103/PhysRevLett.90.068304
J.-W. Handgraaf, T.S. van Erp, and E.J. Meijer, Ab Initio molecular dynamics study of liquid methanol,
Chem. Phys. Lett. 367, 617–624 (2002).
http://dx.doi.org/10.1016/S0009-2614(02)01779-7
A.A. Louis, P.G. Bolhuis, E.J. Meijer, and J.P. Hansen, Polymer induced depletion potentials in polymer-colloid mixtures,
J. Chem. Phys. 117 1893-1907 (2002).
http://dx.doi.org/10.1063/1.1483299
A.A. Louis, P.G. Bolhuis, E.J. Meijer, and J.P. Hansen, Density profiles and surface tensions of polymers near colloidal surfaces,
J. Chem. Phys. 116, 10547–10556 (2002).
http://dx.doi.org/10.1063/1.1473658
A.A. Louis, P.G. Bolhuis, R. Finken, V. Krakoviak, E.J. Meijer, and J.P. Hansen, Coarse-graining polymers as soft colloids
Physica A 306, 251–261 (2002).
http://dx.doi.org/10.1016/S0378-4371(02)00502-2
P.G. Bolhuis, A.A. Louis, E.J. Meijer, and J.P. Hansen, Accurate effective pair potentials for polymer solutions,
J. Chem. Phys. 114, 4296–4311 (2001).
http://dx.doi.org/10.1063/1.1344606
B. Ensing, E.J. Meijer, P.E. Blöchl, and E.J. Baerends, Solvation effects on the S_N2 reaction between CH₃Cl and Cl^-, in water,
J. Phys. Chem. A 105, 105, 3300–3310 (2001).
http://dx.doi.org/10.1021/jp003468x
T.S. van Erp and E.J. Meijer, Hydration of Methanol in Water. A DFT-based Molecular Dynamics Study
Chem. Phys. Lett. 333, 290–296, (2001).
http://dx.doi.org/10.1016/S0009-2614(00)01387-7
A.A. Louis, P.G. Bolhuis, J.P. Hansen, and E.J. Meijer, Can Polymer Coils be modeled as “Soft Colloids”?
Phys. Rev. Lett. 85, 2522-2525 (2000).
http://dx.doi.org/10.1103/PhysRevLett.85.2522
D.G.I. Petra, J.N.H. Reek, J.-W. Handgraaf, E.J. Meijer, P. Dierkes, P.C.J. Kamer, J. Brussee, H.E. Schoenmaker, and P.W.N.M. van Leeuwen, Chiral induction effects in ruthenium(II)-amino alcohol catalysed asymmetric transfer hydrogenation of ketones: An experimental and theoretical approach
Chem. Eur. J. 6, 2818-2829 (2000).
http://dx.doi.org/10.1002/1521-3765(20000804)6:15<2818::AID-CHEM2818>3.0.CO;2-Q
F. El Azhar, M. Baus, J.-P. Ryckaert and E.J. Meijer, Line of triple points for the hard-core Yukawa model: A computer simulation study ,
J. Chem. Phys. 112, 5121-5126 (2000).
http://dx.doi.org/10.1063/1.481068
E.J. Meijer and M. Sprik, Ab initio molecular dynamics study of the reaction of water with formaldehyde in sulfuric acid solution,
J. Am. Chem. Soc. 120, 6345–6355 (1998).
http://dx.doi.org/10.1021/ja972935u
E.J. Meijer and M. Sprik, A density-functional study of the addition of water to SO 3 in the gas phase and in aqueous solution,
J. Phys. Chem. A 102, 2893–2898 (1998).
http://dx.doi.org/10.1021/jp972146z
E.J. Meijer,Location of fluid-β and β - δ coexistence lines of nitrogen by computer simulation,
J. Chem. Phys. 108, 5898-5903 (1998).
http://dx.doi.org/10.1063/1.476000
E.J. Meijer and F. El Azhar, Novel procedure to determine coexistence lines by computer simulation. Application to hard-core Yukawa model for charge-stabilized colloids,
J. Chem. Phys. 106, 4678–4683 (1997).
http://dx.doi.org/10.1063/1.473504
E.J. Meijer and M. Sprik, A density-functional study of the intermolecular interactions of benzene,
J. Chem. Phys. 105 8684-8689 (1996).
http://dx.doi.org/10.1063/1.472649
E.J. Meijer and D. Frenkel, Computer simulation of colloid-polymer mixtures,
Physica A 213, 130-137 (1995).
http://dx.doi.org/10.1016/0378-4371(94)00154-L
E.J. Meijer and D. Frenkel, Colloids dispersed in polymer solutions. A computer simulation study,
J. Chem. Phys. 100, 6873-6887 (1994).
http://dx.doi.org/10.1063/1.467003
M.H.J. Hagen, E.J. Meijer, G.C.A.M. Mooij, D. Frenkel, and H.N.W. Lekkerkerker
Does C₆₀ have a liquid phase?,
Nature 365, 425 (1993).
http://dx.doi.org/10.1038/365425a0
E.J. Meijer and D. Frenkel, Structure and Phase Equilibria of Colloid-Polymer Mixtures. A Computer Simulation Study,
Tenside Surf. Det. 30, 269 (1993).
E.J. Meijer, Computer Simulation of Molecular Solids and Colloidal Dispersions,
Ph-D thesis, FOM-Institute AMOLF / University of Utrecht (1993).
E.J. Meijer and D. Frenkel, Computer Simulation of Polymer-Induced Clustering of Colloids,
Phys. Rev. Lett. 67, 1110 (1991).
http://dx.doi.org/10.1103/PhysRevLett.67.1110
E.J. Meijer and D. Frenkel, Melting Line of Yukawa System by Computer Simulation,
J. Chem. Phys. 94, 2269 (1991).
http://dx.doi.org/10.1063/1.459898
E.J. Meijer, D. Frenkel, R.A. LeSar and A.J.C. Ladd, Location of Melting Point at 300K of Nitrogen by Monte Carlo Simulation,
J. Chem. Phys. 92, 7570 (1990).
http://dx.doi.org/10.1063/1.458193
B. de Wit and E.J. Meijer, Subminimal N=2 Supergravity,
Class. Quantum Grav. 7, L55-L51 (1990).
http://dx.doi.org/10.1088/0264-9381/7/2/007