Most cited papers in Catalysis and Oxidation Reactions
What are the most cited papers in Catalysis and Oxidation Reactions?
The most cited paper in Catalysis and Oxidation Reactions 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 1,466 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 | Single-atom catalysis of CO oxidation using Pt1/FeOx Botao Qiao, Aiqin Wang, Xiaofeng Yang et al. · Nature Chemistry | 21 Jul 2011 | 7,507 |
| 5 | Density Functionals with Broad Applicability in Chemistry Yan Zhao, Donald G. Truhlar · Accounts of Chemical Research | 11 Jan 2008 | 7,161 |
| 6 | VESTA: a three-dimensional visualization system for electronic and structural analysis Koichi Momma, Fujio Izumi · Journal of Applied Crystallography | 13 May 2008 | 6,880 |
| 7 | Software update: the ORCA program system, version 4.0 Frank Neese · Wiley Interdisciplinary Reviews Computational Molecular Science | 17 Jul 2017 | 5,900 |
| 8 | 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 |
| 9 | The ORCA quantum chemistry program package Frank Neese, Frank Wennmohs, Ute Becker et al. · The Journal of Chemical Physics | 12 Jun 2020 | 5,351 |
| 10 | 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 |
| 11 | Deep eutectic solvents: syntheses, properties and applications Qinghua Zhang, Karine De Oliveira Vigier, Sébastien Royer et al. · Chemical Society Reviews | 2012 | 4,899 |
| 12 | 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 |
| 13 | Thermodynamics of mixed‐gas adsorption Alan Lewis Myers, John M. Prausnitz · AIChE Journal | 1965 | 3,806 |
| 14 | Thermal desorption of gases P. A. Redhead · Vacuum | Jul 1962 | 3,514 |
| 15 | Catalytic Properties of Ceria and CeO 2 -Containing Materials Alessandro Trovarelli · Catalysis Reviews | Nov 1996 | 3,492 |
| 16 | Coupled-cluster theory in quantum chemistry Rodney J. Bartlett, Monika Musiał · Reviews of Modern Physics | 22 Feb 2007 | 3,414 |
| 17 | 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 |
| 18 | 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 |
| 19 | Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Yihan Shao et al. · Molecular Physics | 3 Sep 2014 | 3,174 |
| 20 | 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 |
| 21 | 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 |
| 22 | Mechanisms of catalyst deactivation Calvin H. Bartholomew · Applied Catalysis A General | Apr 2001 | 3,068 |
| 23 | Active Nonmetallic Au and Pt Species on Ceria-Based Water-Gas Shift Catalysts Qi Jia Fu, Howard M. Saltsburg, Maria Flytzani‐Stephanopoulos · Science | 7 Jul 2003 | 2,962 |
| 24 | Chemical Structures and Performance of Perovskite Oxides M.A. Peña, J.L.G. Fierro · Chemical Reviews | 31 May 2001 | 2,933 |
| 25 | Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties Tian Xie, Jeffrey C. Grossman · Physical Review Letters | 6 Apr 2018 | 2,883 |
| 26 | Density functional theory with London dispersion corrections Stefan Grimme · Wiley Interdisciplinary Reviews Computational Molecular Science | Mar 2011 | 2,830 |
| 27 | Natural transition orbitals Richard Luis Martin · The Journal of Chemical Physics | 28 Feb 2003 | 2,820 |
| 28 | Fundamentals and Catalytic Applications of CeO 2 -Based Materials Tiziano Montini, Michele Melchionna, Matteo Monai et al. · Chemical Reviews | 27 Apr 2016 | 2,749 |
| 29 | ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation Kimberly Chenoweth, Adri C. T. van Duin, William A. Goddard · The Journal of Physical Chemistry A | 16 Jan 2008 | 2,726 |
| 30 | The Active Site of Methanol Synthesis over Cu/ZnO/Al 2 O 3 Industrial Catalysts Malte Behrens, Felix Studt, Igor Kasatkin et al. · Science | 20 Apr 2012 | 2,641 |
| 31 | Low-temperature oxidation of CO catalysed by Co3O4 nanorods Xiaowei Xie, Yong Li, Zhi‐Quan Liu et al. · Nature | Apr 2009 | 2,633 |
| 32 | Density functional theory in surface chemistry and catalysis Jens K. Nørskov, Frank Abild‐Pedersen, Felix Studt et al. · Proceedings of the National Academy of Sciences | 10 Jan 2011 | 2,631 |
| 33 | Lowering the Temperature of Solid Oxide Fuel Cells Eric D. Wachsman, Kang Taek Lee · Science | 17 Nov 2011 | 2,567 |
| 34 | The Impact of Nanoscience on Heterogeneous Catalysis Alexis T. Bell · Science | 13 Mar 2003 | 2,505 |
| 35 | Gabedit—A graphical user interface for computational chemistry softwares Abdul-Rahman Allouche · Journal of Computational Chemistry | 6 Jul 2010 | 2,486 |
| 36 | Protic Ionic Liquids: Properties and Applications Tamar L. Greaves, Calum John Drummond · Chemical Reviews | 21 Dec 2007 | 2,444 |
| 37 | Catalysis in Ionic Liquids Vasile Ion Parvulescu, Christopher Hardacre · Chemical Reviews | 23 May 2007 | 2,376 |
| 38 | Atomsk: A tool for manipulating and converting atomic data files Pierre Hirel · Computer Physics Communications | 6 Aug 2015 | 2,333 |
| 39 | Recent Advances in the Catalytic Oxidation of Volatile Organic Compounds: A Review Based on Pollutant Sorts and Sources Chi Quan He, Jie Cheng, Xin Zhang et al. · Chemical Reviews | 27 Feb 2019 | 2,277 |
| 40 | Influence of chloride, water, and organic solvents on the physical properties of ionic liquids Kenneth Richard Seddon, Annegret Stark, María-José Torres · Pure and Applied Chemistry | 2000 | 2,277 |
| 41 | Chemical and mechanistic aspects of the selective catalytic reduction of NO by ammonia over oxide catalysts: A review Guido Busca, Luca Lietti, Gianguido Ramis et al. · Applied Catalysis B: Environmental | Sep 1998 | 2,229 |
| 42 | Chemistry of Aerogels and Their Applications Alain C. Pierre, Gérard Marcel Pajonk · Chemical Reviews | 18 Oct 2002 | 2,224 |
| 43 | Low-Temperature Oxidation of CO over Gold Supported on TiO2, α-Fe2O3, and Co3O4 M. Haruta, Susumu Tsubota, Tetsuhiko Kobayashi et al. · Journal of Catalysis | Nov 1993 | 2,209 |
| 44 | Catalytic Dehydrogenation of Light Alkanes on Metals and Metal Oxides Jesper J. H. B. Sättler, Javier Ruiz-Martı́nez, Eduardo Santillan‐Jimenez et al. · Chemical Reviews | 27 Aug 2014 | 2,183 |
| 45 | A review of dry (CO 2 ) reforming of methane over noble metal catalysts Devendra Pakhare, James J. Spivey · Chemical Society Reviews | 7 Feb 2014 | 2,155 |
| 46 | Pore size determination in modified micro- and mesoporous materials. Pitfalls and limitations in gas adsorption data analysis Johan C. Groen, L.A.A. Peffer, Javier Pérez‐Ramírez · Microporous and Mesoporous Materials | Jun 2003 | 2,143 |
| 47 | Solvent-Free Oxidation of Primary Alcohols to Aldehydes Using Au-Pd/TiO 2 Catalysts Dan I. Enache, Jennifer K. Edwards, Philip Landon et al. · Science | 19 Jan 2006 | 2,103 |
| 48 | Vapor–liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen Jeffrey J. Potoff, Joern Ilja Siepmann · AIChE Journal | Jul 2001 | 2,097 |
| 49 | Evaluated Kinetic Data for Combustion Modelling Donald L. Baulch, Carlos J. Cobos, R. A. Cox et al. · Journal of Physical and Chemical Reference Data | May 1992 | 2,085 |
| 50 | Electrocatalytic and homogeneous approaches to conversion of CO 2 to liquid fuels Eric E. Benson, Clifford P. Kubiak, Aaron J. Sathrum et al. · Chemical Society Reviews | 24 Oct 2008 | 2,055 |
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.