Bernd Ensing

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Michael L KleinTemple UniversityDirección de correo verificada de temple.edu
Evert Jan BaerendsProfessor of Theoretical Chemistry, Vrije Universiteit, AmsterdamDirección de correo verificada de vu.nl
michele parrinelloDepartment of ChemistryDirección de correo verificada de phys.chem.ethz.ch
Alberto Pérez de Alba OrtízAssist. Prof. Computational Soft Matter & Chemistry, University of AmsterdamDirección de correo verificada de uva.nl
Marco De VivoIstituto Italiano di TecnologiaDirección de correo verificada de iit.it
Peter E. BlöchlProfessor for Theoretical Physics, Clausthal University of TechnologyDirección de correo verificada de tu-clausthal.de
Alessandro LaioSISSADirección de correo verificada de sissa.it
Rakesh Chandran PuthenkalathilPhD Scholar University of AmsterdamDirección de correo verificada de iith.ac.in
Peter Bolhuisvan 't Hoff institute for Molecular Sciences, University of AmsterdamDirección de correo verificada de uva.nl
Lei Liu (刘磊)Prof. Dr., Wuhan Textile UniversityDirección de correo verificada de wtu.edu.cn
Binit LukoseBoston University, USA; Cornell University, USA; Jacobs University Bremen, GermanyDirección de correo verificada de bu.edu
Lucas VisscherProfessor of Theoretical Chemistry, VU University AmsterdamDirección de correo verificada de vu.nl
Murat KılıçEPFL Lausanne, SwitzerlandDirección de correo verificada de epfl.ch
Jochen BlumbergerUniversity College LondonDirección de correo verificada de ucl.ac.uk
T.J. DingemansProfessor of Chemistry and Aerospace EngineeringDirección de correo verificada de tudelft.nl
Johannes HungerMax Planck Institute for Polymer ResearchDirección de correo verificada de mpip-mainz.mpg.de
Daniel BonnInstitute of Physics, University of AmsterdamDirección de correo verificada de uva.nl
Gertien Smitsleraar scheikunde, Montessori Lyceum Terra NovaDirección de correo verificada de msa.nl
Wolfgang LechnerFull Professor at University of InnsbruckDirección de correo verificada de uibk.ac.at
Jutta RogalFlatiron InstituteDirección de correo verificada de flatironinstitute.org

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Bernd Ensing

Associate Professor of Computational Chemistry, University of Amsterdam

Dirección de correo verificada de uva.nl - Página principal

Multiscale-Modeling Catalysis Electron and Proton Transfer Biochemistry Machine learning


Título Ordenar por citas Ordenar por año Ordenar por título	Citado por Citado por	Año
Promoting transparency and reproducibility in enhanced molecular simulations Nature methods 16 (8), 670-673, 2019	812	2019
Metadynamics as a tool for exploring free energy landscapes of chemical reactions B Ensing, M De Vivo, Z Liu, P Moore, ML Klein Accounts of chemical research 39 (2), 73-81, 2006	458	2006
A recipe for the computation of the free energy barrier and the lowest free energy path of concerted reactions B Ensing, A Laio, M Parrinello, ML Klein The journal of physical chemistry B 109 (14), 6676-6687, 2005	314	2005
Fenton-like chemistry in water: oxidation catalysis by Fe (III) and H2O2 B Ensing, F Buda, EJ Baerends The Journal of Physical Chemistry A 107 (30), 5722-5731, 2003	277	2003
Comparison of the Accurate Kohn−Sham Solution with the Generalized Gradient Approximations (GGAs) for the S_N2 Reaction F^- + CH₃F → FCH₃ + F^-: A … OV Gritsenko, B Ensing, PRT Schipper, EJ Baerends The Journal of Physical Chemistry A 104 (37), 8558-8565, 2000	195	2000
Energy conservation in adaptive hybrid atomistic/coarse-grain molecular dynamics B Ensing, SO Nielsen, PB Moore, ML Klein, M Parrinello Journal of Chemical Theory and Computation 3 (3), 1100-1105, 2007	194	2007
Toward a practical method for adaptive QM/MM simulations RE Bulo, B Ensing, J Sikkema, L Visscher Journal of chemical theory and computation 5 (9), 2212-2221, 2009	187	2009
DFT study of the active intermediate in the Fenton reaction F Buda, B Ensing, MCM Gribnau, EJ Baerends Chemistry–A European Journal 7 (13), 2775-2783, 2001	166	2001
Recent progress in adaptive multiscale molecular dynamics simulations of soft matter SO Nielsen, RE Bulo, PB Moore, B Ensing Physical Chemistry Chemical Physics 12 (39), 12401-12414, 2010	164	2010
Insight into the Effect of Water on the Methanol-to-Olefins Conversion in H-SAPO-34 from Molecular Simulations and in Situ Microspectroscopy K De Wispelaere, CS Wondergem, B Ensing, K Hemelsoet, EJ Meijer, ... Acs Catalysis 6 (3), 1991-2002, 2016	139	2016
On the origin of the extremely different solubilities of polyethers in water B Ensing, A Tiwari, M Tros, J Hunger, SR Domingos, C Pérez, G Smits, ... Nature communications 10 (1), 2893, 2019	131	2019
Methane-to-methanol oxidation by the hydrated iron (IV) oxo species in aqueous solution: a combined DFT and Car− Parrinello molecular dynamics study B Ensing, F Buda, MCM Gribnau, EJ Baerends Journal of the American Chemical Society 126 (13), 4355-4365, 2004	124	2004
Solvation Effects on the S_N2 Reaction between CH₃Cl and Cl^- in Water B Ensing, EJ Meijer, PE Blöchl, EJ Baerends The Journal of Physical Chemistry A 105 (13), 3300-3310, 2001	122	2001
Path finding on high-dimensional free energy landscapes G Díaz Leines, B Ensing Physical review letters 109 (2), 020601, 2012	112	2012
A liquid-liquid transition in supercooled aqueous solution related to the HDA-LDA transition S Woutersen, B Ensing, M Hilbers, Z Zhao, CA Angell Science 359 (6380), 1127-1131, 2018	110	2018
A Car–Parrinello study of the formation of oxidizing intermediates from Fenton's reagent in aqueous solution B Ensing, F Buda, PE Blöchl, EJ Baerends Physical Chemistry Chemical Physics 4 (15), 3619-3627, 2002	109	2002
O₂ Evolution in the Fenton Reaction F Buda, B Ensing, MCM Gribnau, EJ Baerends Chemistry–A European Journal 9 (14), 3436-3444, 2003	106	2003
Lipid bilayer perturbations around a transmembrane nanotube: a coarse grain molecular dynamics study SO Nielsen, B Ensing, V Ortiz, PB Moore, ML Klein Biophysical Journal 88 (6), 3822-3828, 2005	105	2005
Reaction path sampling of the reaction between iron (II) and hydrogen peroxide in aqueous solution B Ensing, EJ Baerends The Journal of Physical Chemistry A 106 (34), 7902-7910, 2002	96	2002
Chemical involvement of solvent water molecules in elementary steps of the Fenton oxidation reaction B Ensing, F Buda, P Blöchl, EJ Baerends Angewandte Chemie International Edition 40 (15), 2893-2895, 2001	95	2001

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