Subfield · Catalysis
Most cited papers in Catalysis
What are the most cited papers in Catalysis?
The most cited paper in Catalysis is "Density-functional thermochemistry. III. The role of exact exchange" (Axel D. Becke, 1993), with 104,174 citations. Next come "VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data" (26,132) and "Toward reliable density functional methods without adjustable parameters: The PBE0 model" (19,412).
Showing 50 of 100 papers. Every paper with more than 2,245 citations is listed.
| # | Paper | ||
|---|---|---|---|
| 1 | Density-functional thermochemistry. III. The role of exact exchange Axel D. Becke · The Journal of Chemical Physics | Apr 1993 | 104,174 |
| 2 | VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data Koichi Momma, Fujio Izumi · Journal of Applied Crystallography | 28 Oct 2011 | 26,132 |
| 3 | Toward reliable density functional methods without adjustable parameters: The PBE0 model Carlo Adamo, Vincenzo Barone · The Journal of Chemical Physics | Apr 1999 | 19,412 |
| 4 | Room-Temperature Ionic Liquids: Solvents for Synthesis and Catalysis. 2 Jason Patrick Hallett, Tom Welton · Chemical Reviews | 6 Apr 2011 | 12,587 |
| 5 | Room-Temperature Ionic Liquids. Solvents for Synthesis and Catalysis Tom Welton · Chemical Reviews | 7 Jul 1999 | 11,843 |
| 6 | Single-atom catalysis of CO oxidation using Pt1/FeOx Botao Qiao, Aiqin Wang, Xiaofeng Yang et al. · Nature Chemistry | 21 Jul 2011 | 7,507 |
| 7 | Deep Eutectic Solvents (DESs) and Their Applications Emma L. Smith, Andrew P. Abbott, Karl Scott Ryder · Chemical Reviews | 10 Oct 2014 | 7,356 |
| 8 | Density Functionals with Broad Applicability in Chemistry Yan Zhao, Donald G. Truhlar · Accounts of Chemical Research | 11 Jan 2008 | 7,161 |
| 9 | VESTA: a three-dimensional visualization system for electronic and structural analysis Koichi Momma, Fujio Izumi · Journal of Applied Crystallography | 13 May 2008 | 6,880 |
| 10 | Noble metal-free hydrogen evolution catalysts for water splitting Xiaoxin Zou, Yu Zhang · Chemical Society Reviews | 2015 | 5,945 |
| 11 | Software update: the ORCA program system, version 4.0 Frank Neese · Wiley Interdisciplinary Reviews Computational Molecular Science | 17 Jul 2017 | 5,900 |
| 12 | NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations Marat Valiev, Eric J. Bylaska, Niranjan Govind et al. · Computer Physics Communications | 17 May 2010 | 5,889 |
| 13 | Ionic Liquids—New “Solutions” for Transition Metal Catalysis Peter Wasserscheid, Wilhelm Keim · Angewandte Chemie International Edition | 3 Nov 2000 | 5,721 |
| 14 | Applications of ionic liquids in the chemical industry Natalia V. Plechkova, Kenneth Richard Seddon · Chemical Society Reviews | 30 Nov 2007 | 5,674 |
| 15 | Novel solvent properties of choline chloride/urea mixturesElectronic supplementary information (ESI) available: spectroscopic data. See http://www.rsc.org/suppdata/cc/b2/b210714g/ Andrew P. Abbott, Glen Capper, David Lewis Davies et al. · Chemical Communications | 26 Nov 2002 | 5,650 |
| 16 | The ORCA quantum chemistry program package Frank Neese, Frank Wennmohs, Ute Becker et al. · The Journal of Chemical Physics | 12 Jun 2020 | 5,351 |
| 17 | Progress and Perspectives of Electrochemical CO2 Reduction on Copper in Aqueous Electrolyte Stephanie Anne Nitopi, Erlend Bertheussen, Søren Bertelsen Scott et al. · Chemical Reviews | 22 May 2019 | 5,177 |
| 18 | A convenient synthesis of acetylenes: catalytic substitutions of acetylenic hydrogen with bromoalkenes, iodoarenes and bromopyridines Kenkichi Sonogashira, Yasuo Tohda, Nobue Hagihara · Tetrahedron Letters | 1975 | 5,175 |
| 19 | Deep eutectic solvents: syntheses, properties and applications Qinghua Zhang, Karine De Oliveira Vigier, Sébastien Royer et al. · Chemical Society Reviews | 2012 | 4,899 |
| 20 | Dissolution of Cellose with Ionic Liquids Richard P. Swatloski, Scott K. Spear, John D. Holbrey et al. · Journal of the American Chemical Society | 17 Apr 2002 | 4,729 |
| 21 | Ionic-liquid materials for the electrochemical challenges of the future Michel B. Armand, Frank Endres, Douglas Robert MacFarlane et al. · Nature Materials | 24 Jul 2009 | 4,618 |
| 22 | Metal-free efficient photocatalyst for stable visible water splitting via a two-electron pathway Juan Liu, Yang Liu, Naiyun Liu et al. · Science | 27 Feb 2015 | 4,485 |
| 23 | Hydrophobic, Highly Conductive Ambient-Temperature Molten Salts Pierre Bonhôte, Ana-Paula Dias, Nicholas Papageorgiou et al. · Inorganic Chemistry | 1996 | 4,342 |
| 24 | Deep Eutectic Solvents Formed between Choline Chloride and Carboxylic Acids: Versatile Alternatives to Ionic Liquids Andrew P. Abbott, D Boothby, Glen Capper et al. · Journal of the American Chemical Society | Jul 2004 | 4,335 |
| 25 | Ionic Liquids--Solvents of the Future? Robin Don Rogers, Kenneth Richard Seddon · Science | 30 Oct 2003 | 4,141 |
| 26 | The role of hydrogen and fuel cells in the global energy system Iain Staffell, Daniel Scamman, Anthony Velazquez Abad et al. · Energy & Environmental Science | 10 Dec 2018 | 4,102 |
| 27 | Molpro: a general‐purpose quantum chemistry program package Hans‐Joachim Werner, Peter J. Knowles, Gerald Knizia et al. · Wiley Interdisciplinary Reviews Computational Molecular Science | 21 Jul 2011 | 3,918 |
| 28 | Thermodynamics of mixed‐gas adsorption Alan Lewis Myers, John M. Prausnitz · AIChE Journal | 1965 | 3,806 |
| 29 | Ionic Liquid (Molten Salt) Phase Organometallic Catalysis Jaı̈rton Dupont, Roberto Fernando de Souza, Paulo A. Z. Suarez · Chemical Reviews | 21 Aug 2002 | 3,744 |
| 30 | Structural Changes Accompanying Intramolecular Electron Transfer: Focus on Twisted Intramolecular Charge-Transfer States and Structures Zbigniew R. Grabowski, Krystyna Rotkiewicz, Wolfgang Rettig · Chemical Reviews | 17 Sep 2003 | 3,705 |
| 31 | Metal hydride materials for solid hydrogen storage: A review☆ Billur Sakintuna, Farida Lamari-Darkrim, Michael Hirscher · International Journal of Hydrogen Energy | 17 Jan 2007 | 3,700 |
| 32 | Characterization and comparison of hydrophilic and hydrophobic room temperature ionic liquids incorporating the imidazolium cation Jonathan G. Huddleston, Ann E. Visser, William Matthew Reichert et al. · Green Chemistry | 2001 | 3,699 |
| 33 | Thermal desorption of gases P. A. Redhead · Vacuum | Jul 1962 | 3,514 |
| 34 | Catalytic Properties of Ceria and CeO 2 -Containing Materials Alessandro Trovarelli · Catalysis Reviews | Nov 1996 | 3,492 |
| 35 | An overview of hydrogen production technologies Jamelyn Holladay, Jianli Hu, D.L. King et al. · Catalysis Today | 22 Oct 2008 | 3,440 |
| 36 | Gas Adsorption Characterization of Ordered Organic−Inorganic Nanocomposite Materials Michał Kruk, Mietek Jaroniec · Chemistry of Materials | 3 May 2001 | 3,422 |
| 37 | Coupled-cluster theory in quantum chemistry Rodney J. Bartlett, Monika Musiał · Reviews of Modern Physics | 22 Feb 2007 | 3,414 |
| 38 | Deep Eutectic Solvents: A Review of Fundamentals and Applications Benworth Bryce Hansen, Stephanie Spittle, Brian Chen et al. · Chemical Reviews | 14 Dec 2020 | 3,382 |
| 39 | Hydrogen energy, economy and storage: Review and recommendation John Olorunfemi Abe, A.P.I. Popoola, Emmanuel Ajenifuja et al. · International Journal of Hydrogen Energy | 3 May 2019 | 3,335 |
| 40 | Recent advances in catalytic hydrogenation of carbon dioxide Wei Wang, Shengping Wang, Xinbin Ma et al. · Chemical Society Reviews | 2011 | 3,312 |
| 41 | Hydrogen Peroxide Synthesis: An Outlook beyond the Anthraquinone Process José M. Campos‐Martín, Gema Blanco‐Brieva, J.L.G. Fierro · Angewandte Chemie International Edition | 13 Oct 2006 | 3,257 |
| 42 | A comparative overview of hydrogen production processes Pavlos Nikolaidis, Andreas Poullikkas · Renewable and Sustainable Energy Reviews | 18 Sep 2016 | 3,220 |
| 43 | New insights into the electrochemical reduction of carbon dioxide on metallic copper surfaces Kendra P. Kuhl, Etosha R. Cave, David N. Abram et al. · Energy & Environmental Science | 2012 | 3,187 |
| 44 | Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Yihan Shao et al. · Molecular Physics | 3 Sep 2014 | 3,174 |
| 45 | Recent Advances in Electrocatalytic Hydrogen Evolution Using Nanoparticles Jing Zhu, Liangsheng Hu, Pengxiang Zhao et al. · Chemical Reviews | 28 Oct 2019 | 3,148 |
| 46 | Novel Gold Catalysts for the Oxidation of Carbon Monoxide at a Temperature far Below 0 °C Masatake Haruta, Tetsuhiko Kobayashi, Hiroshi Sano et al. · Chemistry Letters | Feb 1987 | 3,146 |
| 47 | Catalysis for the Valorization of Exhaust Carbon: from CO 2 to Chemicals, Materials, and Fuels. Technological Use of CO 2 Michele Aresta, Angela Dibenedetto, Antonella Angelini · Chemical Reviews | 9 Dec 2013 | 3,127 |
| 48 | What would it take for renewably powered electrosynthesis to displace petrochemical processes? Phil De Luna, Christopher Hahn, Drew Christopher Higgins et al. · Science | 25 Apr 2019 | 3,086 |
| 49 | Mechanisms of catalyst deactivation Calvin H. Bartholomew · Applied Catalysis A General | Apr 2001 | 3,068 |
| 50 | Culture Medium for Enterobacteria Frederick C. Neidhardt, Philip L. Bloch, David F. Smith · Journal of Bacteriology | Sep 1974 | 3,062 |
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 a field when OpenAlex files it under one of the field's topics; 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.