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Most cited papers in Surface Chemistry and Catalysis

What are the most cited papers in Surface Chemistry and Catalysis?

The most cited paper in Surface Chemistry and Catalysis is "A simple measure of electron localization in atomic and molecular systems" (Axel D. Becke, Kenneth E. Edgecombe, 1990), with 7,183 citations. Next come "The atomic simulation environment—a Python library for working with atoms" (4,765) and "ShelXle : a Qt graphical user interface for SHELXL" (3,828).

Showing 50 of 100 papers. Every paper with more than 672 citations is listed.

Most cited papers, sortable by citations and release date
#Paper
1 A simple measure of electron localization in atomic and molecular systems Axel D. Becke, Kenneth E. Edgecombe · The Journal of Chemical Physics May 1990 7,183
2 The atomic simulation environment—a Python library for working with atoms Ask Hjorth Larsen et al. · Journal of Physics Condensed Matter Open access 21 Mar 2017 4,765
3 ShelXle : a Qt graphical user interface for SHELXL Christian Bertram Hübschle, George M. Sheldrick, Birger Dittrich · Journal of Applied Crystallography Open access 11 Nov 2011 3,828
4 Molecular Self-Assembly and Nanochemistry: a Chemical Strategy for the Synthesis of Nanostructures George M. Whitesides, John P. Mathias, Christopher T. Seto · Science 29 Nov 1991 3,641
5 Self-Assembly of Discrete Cyclic Nanostructures Mediated by Transition Metals Stefan Leininger, Bogdan Z. Olenyuk, Peter J. Stang · Chemical Reviews Review 4 Feb 2000 3,483
6 Small-Molecule H-Bond Donors in Asymmetric Catalysis Abigail G. Doyle, Eric N. Jacobsen · Chemical Reviews Review Dec 2007 2,607
7 New Chiral Phosphorus Ligands for Enantioselective Hydrogenation Wenjun Tang, Xumu Zhang · Chemical Reviews Review 6 Jun 2003 2,567
8 Engineering atomic and molecular nanostructures at surfaces Johannes V. Barth, Giovanni Costantini, Klaus Kern · Nature Sep 2005 2,141
9 Self‐Assembly in Natural and Unnatural Systems Douglas Philp, James Fraser Stoddart · Angewandte Chemie International Edition in English 17 Jun 1996 2,114
10 XtalView/Xfit—A Versatile Program for Manipulating Atomic Coordinates and Electron Density Duncan E. McRee · Journal of Structural Biology Apr 1999 2,102
11 Asymmetric Catalysis: Science and Opportunities (Nobel Lecture) Copyright© The Nobel Foundation 2002. We thank the Nobel Foundation, Stockholm, for permission to print this lecture. Ryōji Noyori · Angewandte Chemie International Edition 17 Jun 2002 2,042
12 Reduced surface: An efficient way to compute molecular surfaces Michel F. Sanner, Arthur J. Olson, Jean-Claude Spehner · Biopolymers Mar 1996 1,996
13 Asymmetric Catalysis by Architectural and Functional Molecular Engineering: Practical Chemo- and Stereoselective Hydrogenation of Ketones Ryōji Noyori, Takeshi Ohkuma · Angewandte Chemie International Edition Open access 4 Jan 2001 1,927
14 Asymmetric Catalysis: Science and Opportunities (Nobel Lecture 2001) Ryōji Noyori · Advanced Synthesis & Catalysis 2003 1,870
15 A critical review of the estimation of the thermodynamic parameters on adsorption equilibria. Wrong use of equilibrium constant in the Van't Hoof equation for calculation of thermodynamic parameters of adsorption Eder Claudio Lima, Ahmad Hosseini–Bandegharaei, Juan Carlos Moreno‐Piraján et al. · Journal of Molecular Liquids 12 Oct 2018 1,869
16 Negative staining of phospholipids and their structural modification by surface-active agents as observed in the electron microscope A. D. Bangham, Robert W. Horne · Journal of Molecular Biology 1964 1,790
17 Synthesis, Structure, and Properties of Model Organic Surfaces Lawrence H. Dubois, Ralph G. Nuzzo · Annual Review of Physical Chemistry Oct 1992 1,766
18 Molecular graph convolutions: moving beyond fingerprints Steven M. Kearnes, Kevin McCloskey, Marc Berndl et al. · Journal of Computer-Aided Molecular Design Open access Aug 2016 1,731
19 Maximum-likelihood density modification Thomas C. Terwilliger · Acta Crystallographica Section D Biological Crystallography Open access Aug 2000 1,649
20 Isolated Metal Atom Geometries as a Strategy for Selective Heterogeneous Hydrogenations Georgios Kyriakou, Matthew B. Boucher, April D. Jewell et al. · Science Open access 8 Mar 2012 1,612
21 New advances in nanographene chemistry Akimitsu Narita, Xiaoye Wang, Xinliang Feng et al. · Chemical Society Reviews ReviewOpen access 2015 1,550
22 Organic Synthesis “On Water” Arani Chanda, Valery V. Fokin · Chemical Reviews ReviewOpen access 11 Feb 2009 1,530
23 Concurrent Tandem Catalysis J.-C. Wasilke, Stephen James Obrey, R. Tom Baker et al. · Chemical Reviews Review 19 Feb 2005 1,462
24 Nano-architectures by covalent assembly of molecular building blocks Leonhard Grill, Matthew Stephen Dyer, Leif Lafferentz et al. · Nature Nanotechnology 28 Oct 2007 1,402
25 Towards the online computer-aided design of catalytic pockets Laura Falivene, Zhen Zhu Cao, Andrea Petta et al. · Nature Chemistry 2 Sep 2019 1,316
26 Reduction of Carbonyl Compounds with Chiral Oxazaborolidine Catalysts: A New Paradigm for Enantioselective Catalysis and a Powerful New Synthetic Method Elias James Corey, Christopher J. Helal · Angewandte Chemie International Edition 17 Aug 1998 1,316
27 Diels-Alder in Aqueous Molecular Hosts: Unusual Regioselectivity and Efficient Catalysis Michito Yoshizawa, Masazumi Tamura, Makoto Fujita · Science 13 Apr 2006 1,303
28 Catalysis in micellar and macromolecular systems Eugene H. Cordes · Journal of Colloid and Interface Science Jul 1978 1,289
29 C RYSTAL14 : A program for theab initioinvestigation of crystalline solids Roberto Dovesi, Roberto Orlando, Alessandro Erba et al. · International Journal of Quantum Chemistry Open access 11 Mar 2014 1,268
30 MMFF VI. MMFF94s option for energy minimization studies Thomas A. Halgren · Journal of Computational Chemistry May 1999 1,242
31 Approximate atomic surfaces from linear combinations of pairwise overlaps (LCPO) J�rg Weiser, Peter S. Shenkin, W. Clark Still · Journal of Computational Chemistry 30 Jan 1999 1,230
32 Attachment of organic layers to conductive or semiconductive surfaces by reduction of diazonium salts Jean Pinson, Fetah I. Podvorica · Chemical Society Reviews Review 2005 1,186
33 Asymmetric Transfer Hydrogenation of Ketones with Bifunctional Transition Metal-Based Molecular Catalysts Takao Ikariya, A. John Blacker · Accounts of Chemical Research 25 Oct 2007 1,183
34 Crystal Engineering and Organometallic Architecture Dario Braga, Fabrizia Grepioni, Gautam Radhakrishna Desiraju · Chemical Reviews Review 14 May 1998 1,178
35 The Catalytic Enantioselective Construction of Molecules with Quaternary Carbon Stereocenters Elias James Corey, Angel Guzmán-Pérez · Angewandte Chemie International Edition 2 Mar 1998 1,176
36 Asymmetric Hydrogenation of Heteroarenes and Arenes Duo‐Sheng Wang, Qing‐An Chen, Sheng‐Mei Lu et al. · Chemical Reviews Review 18 Nov 2011 1,171
37 Transition Metal-Catalyzed Enantioselective Hydrogenation of Enamines and Imines Jian‐Hua Xie, Shou‐Fei Zhu, Qi‐Lin Zhou · Chemical Reviews Review 17 Dec 2010 1,167
38 Synthesis of inorganic materials with complex form Stephen Mann, Geoffrey Alan Ozin · Nature Jul 1996 1,157
39 Are Single Molecular Wires Conducting? Lloyd A. Bumm, Jamie J. Arnold, M. T. Cygan et al. · Science 22 Mar 1996 1,151
40 Chirality-Sensing Supramolecular Systems Guy A. Hembury, Victor Borovkov, Yoshihisa Inoue · Chemical Reviews Review 21 Dec 2007 1,143
41 Asymmetric transfer hydrogenation: chiral ligands and applications Serafino Gladiali, Elisabetta Alberico · Chemical Society Reviews Review 19 Dec 2005 1,125
42 Controlling molecular deposition and layer structure with supramolecular surface assemblies J. A. Theobald, Neil S. Oxtoby, Michael A. Phillips et al. · Nature Aug 2003 1,118
43 A Reversibly Switching Surface Joerg Lahann, Samir Mitragotri, Thanh-Nga Tran et al. · Science 16 Jan 2003 1,113
44 Psi4: an open‐source ab initio electronic structure program Justin M. Turney, Andrew C. Simmonett, Robert M. Parrish et al. · Wiley Interdisciplinary Reviews Computational Molecular Science 31 Oct 2011 1,097
45 Mechanistic aspects of transition metal-catalyzed hydrogen transfer reactions Joseph S. M. Samec, Jan‐E. Bäckvall, Pher G. Andersson et al. · Chemical Society Reviews Review 2006 1,063
46 Modified BINOL Ligands in Asymmetric Catalysis Yu Chen, Shahla Yekta, Andrei K. Yudin · Chemical Reviews Review Aug 2003 1,057
47 Molecular Architectonic on Metal Surfaces Johannes V. Barth · Annual Review of Physical Chemistry Review 12 Apr 2007 1,045
48 Characterization of Organosulfur Molecular Monolayers on Au(111) using Scanning Tunneling Microscopy Gregory E. Poirier · Chemical Reviews Review Jun 1997 1,044
49 Two-dimensional supramolecular self-assembly probed by scanning tunneling microscopy Steven De Feyter, Frans Carl De Schryver · Chemical Society Reviews 2 Apr 2003 1,027
50 The Catalyst Precursor, Catalyst, and Intermediate in the Ru II ‐Promoted Asymmetric Hydrogen Transfer between Alcohols and Ketones Karl‐Josef Haack, Shohei Hashiguchi, Akio Fujii et al. · Angewandte Chemie International Edition in English 14 Feb 1997 1,012

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.