Bernd Ensing

Dikutip oleh

	Semua	Sejak 2019
Kutipan	6026	2995
indeks-h	41	27
indeks-i10	71	57

620

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30 artikel

6 artikel

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Michael L KleinTemple UniversityEmail yang diverifikasi di temple.edu
Evert Jan BaerendsProfessor of Theoretical Chemistry, Vrije Universiteit, AmsterdamEmail yang diverifikasi di vu.nl
michele parrinelloDepartment of ChemistryEmail yang diverifikasi di phys.chem.ethz.ch
Alberto Pérez de Alba OrtízAssist. Prof. Computational Soft Matter & Chemistry, University of AmsterdamEmail yang diverifikasi di uva.nl
Marco De VivoIstituto Italiano di TecnologiaEmail yang diverifikasi di iit.it
Peter E. BlöchlProfessor for Theoretical Physics, Clausthal University of TechnologyEmail yang diverifikasi di tu-clausthal.de
Alessandro LaioSISSAEmail yang diverifikasi di sissa.it
Rakesh Chandran PuthenkalathilPhD Scholar University of AmsterdamEmail yang diverifikasi di iith.ac.in
Peter Bolhuisvan 't Hoff institute for Molecular Sciences, University of AmsterdamEmail yang diverifikasi di uva.nl
Lei Liu (刘磊)Prof. Dr., Wuhan Textile UniversityEmail yang diverifikasi di wtu.edu.cn
Binit LukoseBoston University, USA; Cornell University, USA; Jacobs University Bremen, GermanyEmail yang diverifikasi di bu.edu
Lucas VisscherProfessor of Theoretical Chemistry, VU University AmsterdamEmail yang diverifikasi di vu.nl
Murat KılıçEPFL Lausanne, SwitzerlandEmail yang diverifikasi di epfl.ch
Jochen BlumbergerUniversity College LondonEmail yang diverifikasi di ucl.ac.uk
T.J. DingemansProfessor of Chemistry and Aerospace EngineeringEmail yang diverifikasi di tudelft.nl
Johannes HungerMax Planck Institute for Polymer ResearchEmail yang diverifikasi di mpip-mainz.mpg.de
Daniel BonnInstitute of Physics, University of AmsterdamEmail yang diverifikasi di uva.nl
Gertien Smitsleraar scheikunde, Montessori Lyceum Terra NovaEmail yang diverifikasi di msa.nl
Wolfgang LechnerFull Professor at University of InnsbruckEmail yang diverifikasi di uibk.ac.at
Jutta RogalNew York UniversityEmail yang diverifikasi di nyu.edu

Ikuti

Bernd Ensing

Associate Professor of Computational Chemistry, University of Amsterdam

Email yang diverifikasi di uva.nl - Beranda

Multiscale-Modeling Catalysis Electron and Proton Transfer Biochemistry Machine learning


Judul Urutkan menurut kutipan Urutkan menurut tahun Urutkan menurut judul	Dikutip oleh Dikutip oleh	Tahun
Promoting transparency and reproducibility in enhanced molecular simulations Nature methods 16 (8), 670-673, 2019	772	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	452	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	312	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	272	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	165	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	137	2016
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
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	123	2019
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
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	109	2018
Path finding on high-dimensional free energy landscapes G Díaz Leines, B Ensing Physical review letters 109 (2), 020601, 2012	108	2012
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	108	2002
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
O₂ Evolution in the Fenton Reaction F Buda, B Ensing, MCM Gribnau, EJ Baerends Chemistry–A European Journal 9 (14), 3436-3444, 2003	105	2003
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	95	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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