Most cited papers in Molecular Junctions and Nanostructures
What are the most cited papers in Molecular Junctions and Nanostructures?
The most cited paper in Molecular Junctions and Nanostructures is "Self-Consistent Equations Including Exchange and Correlation Effects" (Walter Kohn, L. J. Sham, 1965), with 64,427 citations. Next come "Density-functional exchange-energy approximation with correct asymptotic behavior" (54,107) and "Hybrid functionals based on a screened Coulomb potential" (19,740).
Showing 50 of 99 papers. Every paper with more than 2,268 citations is listed.
| # | Paper | ||
|---|---|---|---|
| 1 | Self-Consistent Equations Including Exchange and Correlation Effects Walter Kohn, L. J. Sham · Physical Review | 15 Nov 1965 | 64,427 |
| 2 | Density-functional exchange-energy approximation with correct asymptotic behavior Axel D. Becke · Physical Review A | Sep 1988 | 54,107 |
| 3 | Hybrid functionals based on a screened Coulomb potential Jochen Heyd, Gustavo E. Scuseria, Matthias Ernzerhof · The Journal of Chemical Physics | 25 Apr 2003 | 19,740 |
| 4 | Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode Jens K. Nørskov, Jan Rossmeisl, Áshildur Logadóttir et al. · The Journal of Physical Chemistry B | 22 Oct 2004 | 13,232 |
| 5 | Mussel-Inspired Surface Chemistry for Multifunctional Coatings Haeshin Lee, Shara M. Dellatore, William M. Miller et al. · Science | 18 Oct 2007 | 10,972 |
| 6 | Chemical Reaction Engineering Octave Levenspiel · Industrial & Engineering Chemistry Research | 11 Sep 1999 | 9,998 |
| 7 | A fifth-order perturbation comparison of electron correlation theories Krishnan Raghavachari, Gary W. Trucks, John Anthony Pople et al. · Chemical Physics Letters | May 1989 | 8,570 |
| 8 | Self-Assembled Monolayers of Thiolates on Metals as a Form of Nanotechnology John Christopher Love, Lara A. Estroff, Jennah K. Kriebel et al. · Chemical Reviews | 25 Mar 2005 | 8,286 |
| 9 | Electron transfers in chemistry and biology R. A. Marcus, Norman Sutin · Biochimica et Biophysica Acta (BBA) - Reviews on Bioenergetics | Aug 1985 | 8,083 |
| 10 | Graphene photonics and optoelectronics Francesco Bonaccorso, Zhongyuan Sun, Tawfique Hasan et al. · Nature Photonics | 31 Aug 2010 | 7,743 |
| 11 | Electrophilicity Index Robert G. Parr, László von Szentpály, Shubin Liu · Journal of the American Chemical Society | 18 Feb 1999 | 7,500 |
| 12 | Chemistry and Properties of Nanocrystals of Different Shapes Clemens Burda, Xiaobo Chen, Radha Narayanan et al. · Chemical Reviews | 18 Mar 2005 | 7,206 |
| 13 | Rationale for mixing exact exchange with density functional approximations John P. Perdew, Matthias Ernzerhof, Kieron Burke · The Journal of Chemical Physics | 8 Dec 1996 | 6,748 |
| 14 | Trends in the Exchange Current for Hydrogen Evolution Jens K. Nørskov, Thomas Bligaard, Áshildur Logadóttir et al. · Journal of The Electrochemical Society | 2005 | 6,074 |
| 15 | Identification of Active Edge Sites for Electrochemical H 2 Evolution from MoS 2 Nanocatalysts Thomas Francisco Jaramillo, Kristina P. Jørgensen, Jacob Bonde et al. · Science | 5 Jul 2007 | 6,052 |
| 16 | Density-functional method for nonequilibrium electron transport Mads Brandbyge, José-Luís Mozos, Pablo Ordejón et al. · Physical review. B, Condensed matter | 22 Mar 2002 | 5,846 |
| 17 | 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 |
| 18 | Room-temperature transistor based on a single carbon nanotube Sander J. Tans, Alwin R. M. Verschueren, Cees Dekker · Nature | May 1998 | 5,429 |
| 19 | Two-layer organic photovoltaic cell C. W. Tang · Applied Physics Letters | 13 Jan 1986 | 4,989 |
| 20 | Chemically Derived, Ultrasmooth Graphene Nanoribbon Semiconductors Xiaolin Li, Xinran Wang, Li Zhang et al. · Science | 24 Jan 2008 | 4,814 |
| 21 | The atomic simulation environment—a Python library for working with atoms Ask Hjorth Larsen et al. · Journal of Physics Condensed Matter | 21 Mar 2017 | 4,765 |
| 22 | Gold Nanoparticles in Chemical and Biological Sensing Krishnendu Saha, Sarit S. Agasti, Chaekyu Kim et al. · Chemical Reviews | 2 Feb 2012 | 4,628 |
| 23 | Charge Transport in Organic Semiconductors Veaceslav Coropceanu, Jérôme Cornil, Demétrio A. da Silva Filho et al. · Chemical Reviews | 23 Mar 2007 | 4,618 |
| 24 | Quadratic configuration interaction. A general technique for determining electron correlation energies John Anthony Pople, Martin Head‐Gordon, Krishnan Raghavachari · The Journal of Chemical Physics | 15 Nov 1987 | 4,555 |
| 25 | Graphene-Like Two-Dimensional Materials Mingsheng Xu, Tao Liang, Minmin Shi et al. · Chemical Reviews | 3 Jan 2013 | 4,554 |
| 26 | CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations Thomas D. Kühne et al. · The Journal of Chemical Physics | 19 May 2020 | 4,461 |
| 27 | Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation John P. Perdew, Wang Yue · Physical review. B, Condensed matter | 15 Jun 1986 | 4,318 |
| 28 | The exciton model in molecular spectroscopy Michael Kasha, Henry Ralph Rawls, M. Ashraf El‐Bayoumi · Pure and Applied Chemistry | 1965 | 4,270 |
| 29 | Electronic excitations: density-functional versus many-body Green’s-function approaches Giovanni Onida, Lucia Reining, Ángel Rubio · Reviews of Modern Physics | 7 Jun 2002 | 4,175 |
| 30 | Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications Vasilios I. Georgakilas, Michal Otyepka, Athanasios B. Bourlinos et al. · Chemical Reviews | 25 Sep 2012 | 4,103 |
| 31 | Theoretical surface science and catalysis—calculations and concepts Bjørk Hammer, Jens K. Nørskov · Advances in catalysis | 2000 | 3,984 |
| 32 | Why gold is the noblest of all the metals Bjørk Hammer, Jens K. Nørskov · Nature | Jul 1995 | 3,922 |
| 33 | Atomically precise bottom-up fabrication of graphene nanoribbons Jinming Cai, Pascal Ruffieux, Rached Jaafar et al. · Nature | Jul 2010 | 3,713 |
| 34 | 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 |
| 35 | Surface Plasmon Spectroscopy of Nanosized Metal Particles Paul A. Mulvaney · Langmuir | 1996 | 3,685 |
| 36 | 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 |
| 37 | Molecular rectifiers Arieh Aviram, Mark A. Ratner · Chemical Physics Letters | Nov 1974 | 3,572 |
| 38 | A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives Graeme Henkelman, Hannes Jónsson · The Journal of Chemical Physics | 15 Oct 1999 | 3,545 |
| 39 | Graphene Oxide: Preparation, Functionalization, and Electrochemical Applications Da Chen, Hongbin Feng, Jinghong Li · Chemical Reviews | 14 Aug 2012 | 3,539 |
| 40 | Ab initio modeling of quantum transport properties of molecular electronic devices Jeremy Taylor, Hong Yu Guo, Jian Wang · Physical review. B, Condensed matter | Jun 2001 | 3,511 |
| 41 | Self-Assembly of Discrete Cyclic Nanostructures Mediated by Transition Metals Stefan Leininger, Bogdan Z. Olenyuk, Peter J. Stang · Chemical Reviews | 4 Feb 2000 | 3,483 |
| 42 | Conductance of a Molecular Junction Mark A. Reed, Chongwu Zhou, C. J. Muller et al. · Science | 10 Oct 1997 | 3,469 |
| 43 | Coupled-cluster theory in quantum chemistry Rodney J. Bartlett, Monika Musiał · Reviews of Modern Physics | 22 Feb 2007 | 3,414 |
| 44 | Formation of monolayer films by the spontaneous assembly of organic thiols from solution onto gold Colin D. Bain, E. Barry Troughton, Yu‐Tai Tao et al. · Journal of the American Chemical Society | 1989 | 3,386 |
| 45 | Maximally localized Wannier functions: Theory and applications Nicola Marzari, Arash A. Mostofi, Jonathan R. Yates et al. · Reviews of Modern Physics | 10 Oct 2012 | 3,351 |
| 46 | Chemistry and Physics in One Dimension: Synthesis and Properties of Nanowires and Nanotubes Jiangtao Hu, Teri W. Odom, Charles M. Lieber · Accounts of Chemical Research | 20 Feb 1999 | 3,344 |
| 47 | Generalized many-channel conductance formula with application to small rings Μ. Büttiker, Y. Imry, Rolf W. Landauer et al. · Physical review. B, Condensed matter | 15 May 1985 | 3,286 |
| 48 | Studies of polaron motion Theodore D. Holstein · Annals of Physics | Nov 1959 | 3,285 |
| 49 | Layer-by-Layer Assembly of Ultrathin Composite Films from Micron-Sized Graphite Oxide Sheets and Polycations Nina I. Kovtyukhova, Patricia J. Ollivier, Benjamin R. Martin et al. · Chemistry of Materials | 28 Jan 1999 | 3,235 |
| 50 | Molecular spintronics using single-molecule magnets Lapo Bogani, Wolfgang Wernsdorfer · Nature Materials | 25 Feb 2008 | 3,177 |
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.