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Most cited papers in Chemical Engineering

What are the most cited papers in Chemical Engineering?

The most cited paper in Chemical Engineering is "Density-functional thermochemistry. III. The role of exact exchange" (Axel D. Becke, 1993), with 104,174 citations. Next come "Comparison of simple potential functions for simulating liquid water" (42,894) and "Electrochemical Photolysis of Water at a Semiconductor Electrode" (34,145).

Showing 50 of 99 papers. Every paper with more than 3,127 citations is listed.

Most cited papers, sortable by citations and release date
#Paper
1 Density-functional thermochemistry. III. The role of exact exchange Axel D. Becke · The Journal of Chemical Physics Apr 1993 104,174
2 Comparison of simple potential functions for simulating liquid water William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura et al. · The Journal of Chemical Physics 15 Jul 1983 42,894
3 Electrochemical Photolysis of Water at a Semiconductor Electrode Akira Fujishima, Kenichi Honda · Nature Jul 1972 34,145
4 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
5 Toward reliable density functional methods without adjustable parameters: The PBE0 model Carlo Adamo, Vincenzo Barone · The Journal of Chemical Physics Apr 1999 19,412
6 Room-Temperature Ionic Liquids: Solvents for Synthesis and Catalysis. 2 Jason Patrick Hallett, Tom Welton · Chemical Reviews Review 6 Apr 2011 12,587
7 Room-Temperature Ionic Liquids. Solvents for Synthesis and Catalysis Tom Welton · Chemical Reviews Review 7 Jul 1999 11,843
8 Transportation Research Record Anne Vingaard Olesen, Erik Kjems, Kristian Hegner Reinau et al. 23 Jul 2016 11,437
9 Scaling Concepts in Polymer Physics Pierre Gilles de Gennes, Thomas A. Witten · Physics Today Jun 1980 9,412
10 Enhancing Thermal Conductivity of Fluids With Nanoparticles Stephen U. S. Choi Conference paperOpen access 12 Nov 1995 9,327
11 Single-atom catalysis of CO oxidation using Pt1/FeOx Botao Qiao, Aiqin Wang, Xiaofeng Yang et al. · Nature Chemistry 21 Jul 2011 7,507
12 Deep Eutectic Solvents (DESs) and Their Applications Emma L. Smith, Andrew P. Abbott, Karl Scott Ryder · Chemical Reviews ReviewOpen access 10 Oct 2014 7,356
13 Density Functionals with Broad Applicability in Chemistry Yan Zhao, Donald G. Truhlar · Accounts of Chemical Research 11 Jan 2008 7,161
14 Signaling Recognition Events with Fluorescent Sensors and Switches A. Prasanna de Silva, H. Q. Nimal Gunaratne, Thorfinnur Gunnlaugsson et al. · Chemical Reviews Review Aug 1997 6,988
15 VESTA: a three-dimensional visualization system for electronic and structural analysis Koichi Momma, Fujio Izumi · Journal of Applied Crystallography 13 May 2008 6,880
16 Solitons in Polyacetylene W. P. Su, J. R. Schrieffer, Alan J. Heeger · Physical Review Letters 18 Jun 1979 6,857
17 A SPECTROPHOTOMETRIC METHOD FOR MEASURING THE BREAKDOWN OF HYDROGEN PEROXIDE BY CATALASE Roland Frank Beers, Irwin W. Sizer · Journal of Biological Chemistry Open access Mar 1952 6,791
18 Equilibrium constants from a modified Redlich-Kwong equation of state Giorgio S. Soave · Chemical Engineering Science Jun 1972 6,319
19 Noble metal-free hydrogen evolution catalysts for water splitting Xiaoxin Zou, Yu Zhang · Chemical Society Reviews Review 2015 5,945
20 Software update: the ORCA program system, version 4.0 Frank Neese · Wiley Interdisciplinary Reviews Computational Molecular Science 17 Jul 2017 5,900
21 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
22 On the Temperature Dependence of Cooperative Relaxation Properties in Glass-Forming Liquids Gerold Adam, Julian H. Gibbs · The Journal of Chemical Physics Jul 1965 5,842
23 Nanowire Nanosensors for Highly Sensitive and Selective Detection of Biological and Chemical Species Yi Ping Cui, Qingqiao Wei, Hongkun Park et al. · Science 17 Aug 2001 5,805
24 Emerging applications of stimuli-responsive polymer materials Martien A. Cohen Stuart, Wilhelm T. S. Huck, Jan Genzer et al. · Nature Materials Open access 22 Jan 2010 5,723
25 Ionic Liquids—New “Solutions” for Transition Metal Catalysis Peter Wasserscheid, Wilhelm Keim · Angewandte Chemie International Edition 3 Nov 2000 5,721
26 Applications of ionic liquids in the chemical industry Natalia V. Plechkova, Kenneth Richard Seddon · Chemical Society Reviews Review 30 Nov 2007 5,674
27 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 Open access 26 Nov 2002 5,650
28 The ORCA quantum chemistry program package Frank Neese, Frank Wennmohs, Ute Becker et al. · The Journal of Chemical Physics Open access 12 Jun 2020 5,351
29 Role of Repulsive Forces in Determining the Equilibrium Structure of Simple Liquids John D. Weeks, David Chandler, Hans Christian Andersen · The Journal of Chemical Physics 15 Jun 1971 5,289
30 New spectrophotometric equations for determining chlorophylls a, b, c1 and c2 in higher plants, algae and natural phytoplankton Shirley W. Jeffrey, G. F. Humphrey · Biochemie und Physiologie der Pflanzen 1975 5,286
31 Biodiesel production: a review1Journal Series #12109, Agricultural Research Division, Institute of Agriculture and Natural Resources, University of Nebraska–Lincoln.1 Fangrui Ma, Milford A. Hanna · Bioresource Technology Oct 1999 5,241
32 Progress and Perspectives of Electrochemical CO2 Reduction on Copper in Aqueous Electrolyte Stephanie Anne Nitopi, Erlend Bertheussen, Søren Bertelsen Scott et al. · Chemical Reviews ReviewOpen access 22 May 2019 5,177
33 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
34 Fully integrated wearable sensor arrays for multiplexed in situ perspiration analysis Wei Feng Gao, Sam Emaminejad, Hnin Yin Yin Nyein et al. · Nature Open access 26 Jan 2016 5,050
35 The IAPWS Formulation 1995 for the Thermodynamic Properties of Ordinary Water Substance for General and Scientific Use Wolfgang Eric Wagner, A. Pruß · Journal of Physical and Chemical Reference Data Jun 2002 4,947
36 Deep eutectic solvents: syntheses, properties and applications Qinghua Zhang, Karine De Oliveira Vigier, Sébastien Royer et al. · Chemical Society Reviews Review 2012 4,899
37 An internally consistent thermodynamic data set for phases of petrological interest Tim J. B. Holland, Roger Powell · Journal of Metamorphic Geology May 1998 4,886
38 Raman microspectroscopy of soot and related carbonaceous materials: Spectral analysis and structural information A. Sadezky, Harald Muckenhuber, Hinrich Grothe et al. · Carbon 24 Mar 2005 4,884
39 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
40 Statistical thermodynamics of liquid mixtures: A new expression for the excess Gibbs energy of partly or completely miscible systems Denis S. Abrams, John M. Prausnitz · AIChE Journal 1975 4,684
41 Diffusion of univalent ions across the lamellae of swollen phospholipids A. D. Bangham, M. M. Standish, J.C. Watkins · Journal of Molecular Biology Aug 1965 4,635
42 Determination of Glucose in Blood Using Glucose Oxidase with an Alternative Oxygen Acceptor P. Trinder · Annals of Clinical Biochemistry International Journal of Laboratory Medicine 1969 4,629
43 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
44 The Viscosity of Concentrated Suspensions and Solutions H. Brinkman · The Journal of Chemical Physics Apr 1952 4,615
45 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
46 HYDRODYNAMIC AND HEAT TRANSFER STUDY OF DISPERSED FLUIDS WITH SUBMICRON METALLIC OXIDE PARTICLES Bock Choon Pak, Young I. Cho · Experimental Heat Transfer Apr 1998 4,429
47 Purification of Laboratory Chemicals Colin Eaborn · Journal of Organometallic Chemistry 1989 4,354
48 Hydrophobic, Highly Conductive Ambient-Temperature Molten Salts Pierre Bonhôte, Ana-Paula Dias, Nicholas Papageorgiou et al. · Inorganic Chemistry Open access 1996 4,342
49 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
50 Reptation of a Polymer Chain in the Presence of Fixed Obstacles Pierre Gilles de Gennes · The Journal of Chemical Physics 15 Jul 1971 4,275

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.