Institution · Scientific Computing & Modelling (Netherlands)
Most cited papers from Scientific Computing & Modelling (Netherlands)
What are the most cited papers from Scientific Computing & Modelling (Netherlands)?
The most cited paper from Scientific Computing & Modelling (Netherlands) is "Chemistry with ADF" (G. te Velde, F. Matthias Bickelhaupt, Evert Jan Baerends et al., 2001), with 10,169 citations. Next come "Analyzing Reaction Rates with the Distortion/Interaction‐Activation Strain Model" (1,744) and "Assessing the performance of recent density functionals for bulk solids" (1,035).
Showing 50 of 61 papers. Every paper with more than 70 citations is listed.
| # | Paper | ||
|---|---|---|---|
| 1 | Chemistry with ADF G. te Velde, F. Matthias Bickelhaupt, Evert Jan Baerends et al. · Journal of Computational Chemistry | 23 Apr 2001 | 10,169 |
| 2 | Analyzing Reaction Rates with the Distortion/Interaction‐Activation Strain Model F. Matthias Bickelhaupt, Kendall N. Houk · Angewandte Chemie International Edition | 26 Apr 2017 | 1,744 |
| 3 | Assessing the performance of recent density functionals for bulk solids Gábor I. Csonka, John P. Perdew, Adrienn Ruzsinszky et al. · Physical Review B | 10 Apr 2009 | 1,035 |
| 4 | The activation strain model of chemical reactivity Willem‐Jan van Zeist, F. Matthias Bickelhaupt · Organic & Biomolecular Chemistry | 2010 | 723 |
| 5 | Quantifying aromaticity with electron delocalisation measures Ferran Feixas, Eduard Matito, Jordi Poater et al. · Chemical Society Reviews | 2015 | 455 |
| 6 | The activation strain model and molecular orbital theory Lando P. Wolters, F. Matthias Bickelhaupt · Wiley Interdisciplinary Reviews Computational Molecular Science | 18 May 2015 | 382 |
| 7 | Multiple-component covalent organic frameworks Ning Huang, Lipeng Zhai, Damien E. Coupry et al. · Nature Communications | 27 Jul 2016 | 359 |
| 8 | On the Origin of Surface Traps in Colloidal II–VI Semiconductor Nanocrystals Arjan J. Houtepen, Zeger Hens, Jonathan S. Owen et al. · Chemistry of Materials | 26 Dec 2016 | 335 |
| 9 | The Becke Fuzzy Cells Integration Scheme in the Amsterdam Density Functional Program Suite Mirko Franchini, P. H. T. Philipsen, Lucas Visscher · Journal of Computational Chemistry | 29 May 2013 | 322 |
| 10 | Ultralow lattice thermal conductivity of the fully filled skutterudite YbFe 4 Sb 12 due to the flat avoided-crossing filler modes Wu Li, Natalio Mingo · Physical Review B | 15 Apr 2015 | 274 |
| 11 | The syntax definition formalism SDF—reference manual— Jan Heering, Paul Hendriks, Paul Klint et al. · ACM SIGPLAN Notices | Nov 1989 | 270 |
| 12 | Even‐tempered slater‐type orbitals revisited: From hydrogen to krypton Delano Pun Chong, Erik van Lenthe, Stan van Gisbergen et al. · Journal of Computational Chemistry | 23 Mar 2004 | 263 |
| 13 | Extension of the Universal Force Field for Metal–Organic Frameworks Damien E. Coupry, Matthew A. Addicoat, Thomas Heine · Journal of Chemical Theory and Computation | 31 Aug 2016 | 261 |
| 14 | An implementation of the conductor-like screening model of solvation within the Amsterdam density functional package — Part II. COSMO for real solvents Cory Christopher Pye, Tom Ziegler, Erik van Lenthe et al. · Canadian Journal of Chemistry | Jul 2009 | 260 |
| 15 | Electrical transport limited by electron-phonon coupling from Boltzmann transport equation: Anab initiostudy of Si, Al, and MoS2 Wu Li · Physical Review B | 4 Aug 2015 | 252 |
| 16 | Das Distortion/Interaction‐Activation‐Strain‐Modell zur Analyse von Reaktionsgeschwindigkeiten F. Matthias Bickelhaupt, Kendall N. Houk · Angewandte Chemie | 26 Apr 2017 | 243 |
| 17 | Nucleophilic Substitution (S N 2): Dependence on Nucleophile, Leaving Group, Central Atom, Substituents, and Solvent Trevor A. Hamlin, Marcel Swart, F. Matthias Bickelhaupt · ChemPhysChem | 15 Mar 2018 | 241 |
| 18 | The many faces of halogen bonding: a review of theoretical models and methods Lando P. Wolters, Patric Schyman, Mariela J. Pavan et al. · Wiley Interdisciplinary Reviews Computational Molecular Science | 9 Jun 2014 | 216 |
| 19 | Predicting phosphorescent lifetimes and zero-field splitting of organometallic complexes with time-dependent density functional theory including spin–orbit coupling Kazuhiko Mori, Theodorus P. M. Goumans, Erik van Lenthe et al. · Physical Chemistry Chemical Physics | 2014 | 195 |
| 20 | The Impact of Climate Change on Domestic and International Tourism: A Simulation Study Andrea Bigano, Jacqueline M. Hamilton, Richard S.J. Tol · SSRN Electronic Journal | 2006 | 177 |
| 21 | Electromechanics in MoS2 and WS2: nanotubes vs. monolayers Mahdi Ghorbani‐Asl, Nourdine Zibouche, Mohammad Wahiduzzaman et al. · Scientific Reports | 16 Oct 2013 | 175 |
| 22 | The Impact of Climate on Holiday Destination Choice Richard S.J. Tol, Andrea Bigano, Jacqueline M. Hamilton · SSRN Electronic Journal | 2005 | 174 |
| 23 | How Lewis Acids Catalyze Diels–Alder Reactions Pascal Vermeeren, Trevor A. Hamlin, Israel Fernández et al. · Angewandte Chemie International Edition | 16 Jan 2020 | 172 |
| 24 | Accurate Coulomb Potentials for Periodic and Molecular Systems through Density Fitting Mirko Franchini, P. H. T. Philipsen, Erik van Lenthe et al. · Journal of Chemical Theory and Computation | 11 Apr 2014 | 168 |
| 25 | Harvesting graphics power for MD simulations Jacobus A. van Meel, Axel Arnold, Daan Frenkel et al. · Molecular Simulation | Mar 2008 | 166 |
| 26 | DFTB Parameters for the Periodic Table: Part 1, Electronic Structure Mohammad Wahiduzzaman, Augusto Faria Oliveira, Pier Philipsen et al. · Journal of Chemical Theory and Computation | 5 Aug 2013 | 160 |
| 27 | Molecular Dynamics Simulations of Laser-Induced Incandescence of Soot Using an Extended ReaxFF Reactive Force Field Amar M. Kamat, Adri C. T. van Duin, Alexei Yakovlev · The Journal of Physical Chemistry A | 10 Nov 2010 | 154 |
| 28 | The Amsterdam Modeling Suite Evert Jan Baerends et al. · The Journal of Chemical Physics | 22 Apr 2025 | 145 |
| 29 | Continuous-wave infrared optical gain and amplified spontaneous emission at ultralow threshold by colloidal HgTe quantum dots Pieter Geiregat, Arjan J. Houtepen, Laxmi Kishore Sagar et al. · Nature Materials | 9 Oct 2017 | 144 |
| 30 | On the consistency of Koomen's Fair Abstraction Rule J. C. M. Baeten, Jan Aldert Bergstra, Jan Willem Klop · Theoretical Computer Science | 1987 | 144 |
| 31 | Mapping opportunities and challenges for rewilding in Europe Silvia Ceaușu, Max Hofmann, Laetitia M. Navarro et al. · Conservation Biology | 21 May 2015 | 141 |
| 32 | True Colour Classification of Natural Waters with Medium-Spectral Resolution Satellites: SeaWiFS, MODIS, MERIS and OLCI H.J. van der Woerd, Marcel Robert Wernand · Sensors | 9 Oct 2015 | 134 |
| 33 | The Economic Value of Wetland Conservation and Creation: A Meta-Analysis Andrea Ghermandi, Jeroen C.J.M. van den Bergh, Luke Brander et al. · SSRN Electronic Journal | 2008 | 134 |
| 34 | The Social Cost of Carbon: Trends, Outliers and Catastrophes Richard S.J. Tol · SSRN Electronic Journal | 2007 | 129 |
| 35 | Decentralized Markets versus Central Control: A Comparative Study Fredrik Ygge, Hans Akkermans · Journal of Artificial Intelligence Research | Oct 1999 | 119 |
| 36 | How Oriented External Electric Fields Modulate Reactivity Song Yu, Pascal Vermeeren, Trevor A. Hamlin et al. · Chemistry - A European Journal | 7 Dec 2020 | 113 |
| 37 | How Dihalogens Catalyze Michael Addition Reactions Trevor A. Hamlin, Israel Fernández, F. Matthias Bickelhaupt · Angewandte Chemie International Edition | 30 Apr 2019 | 110 |
| 38 | Genome-wide association study results for educational attainment aid in identifying genetic heterogeneity of schizophrenia Vikas Bansal, Marina Mitjans, Casper A.P. Burik et al. · Nature Communications | 31 Jul 2018 | 97 |
| 39 | Discounting for Climate Change David Anthoff, Richard S.J. Tol, JENNIFER F. HELGESON · SSRN Electronic Journal | 2009 | 97 |
| 40 | Decomposition of Co2 Emissions Over 1980-2003 in Turkey Wietze Lise · SSRN Electronic Journal | 2005 | 96 |
| 41 | Examining the Callaway model for lattice thermal conductivity Jinlong Ma, Wu Li, Xiaobing Luo · Physical Review B | 14 Jul 2014 | 92 |
| 42 | Experimentation at the interface of science and policy: a multi-case analysis of how policy experiments influence political decision-makers B.K. McFadgen, Dave Huitema · Policy Sciences | 28 Jan 2017 | 91 |
| 43 | Lattice constants from semilocal density functionals with zero-point phonon correction Hao Pan, Yuan Fang, Jianwei Sun et al. · Physical Review B | 20 Jan 2012 | 88 |
| 44 | ReaxFF Parameter Optimization with Monte-Carlo and Evolutionary Algorithms: Guidelines and Insights Ganna Shchygol, Alexei Yakovlev, Tomáš Trnka et al. · Journal of Chemical Theory and Computation | 27 Oct 2019 | 85 |
| 45 | The discrete time ToolBus — A software coordination architecture Jan Aldert Bergstra, Paul Klint · Science of Computer Programming | Jul 1998 | 85 |
| 46 | PyFrag 2019—Automating the exploration and analysis of reaction mechanisms Xiaobo Sun, Thomas M. Soini, Jordi Poater et al. · Journal of Computational Chemistry | 4 Jun 2019 | 84 |
| 47 | Origin of the α‐Effect in SN2 Reactions Thomas Ross Hansen, Pascal Vermeeren, F. Matthias Bickelhaupt et al. · Angewandte Chemie International Edition | 4 Jun 2021 | 81 |
| 48 | Economy-Wide Estimates of the Implications of Climate Change: Human Health Francesco Bosello, Roberto Roson, Richard S.J. Tol · SSRN Electronic Journal | 2005 | 81 |
| 49 | Regioselectivity of Epoxide Ring‐Openings via S N 2 Reactions Under Basic and Acidic Conditions Thomas Ross Hansen, Pascal Vermeeren, Anissa Haim et al. · European Journal of Organic Chemistry | 28 May 2020 | 80 |
| 50 | PiNN: A Python Library for Building Atomic Neural Networks of Molecules and Materials Yunqi Shao, Matti Hellström, Pavlin D. Mitev et al. · Journal of Chemical Information and Modeling | 14 Jan 2020 | 78 |
Citations are OpenAlex's own counts, from its 2026-09-23 snapshot, so the ranking can differ from Google Scholar or Web of Science. A paper is listed for an institution when any of its authors gave it as an affiliation; retracted papers and papers whose citation count cannot be traced to citing works are left out, and a preprint and the article it became are shown once. Release dates are OpenAlex's: where a source gave only a month or a year, that is what is shown. How the lists are chosen.