Most cited papers in Inorganic Fluorides and Related Compounds
What are the most cited papers in Inorganic Fluorides and Related Compounds?
The most cited paper in Inorganic Fluorides and Related Compounds is "A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu" (Stefan Grimme, Jens Antony, Stephan Ehrlich et al., 2010), with 59,482 citations. Next come "SHELXT – Integrated space-group and crystal-structure determination" (29,598) and "Effect of the damping function in dispersion corrected density functional theory" (28,444).
Showing 50 of 100 papers. Every paper with more than 939 citations is listed.
| # | Paper | ||
|---|---|---|---|
| 1 | A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics | 16 Apr 2010 | 59,482 |
| 2 | SHELXT – Integrated space-group and crystal-structure determination George M. Sheldrick · Acta Crystallographica Section A Foundations and Advances | 23 Dec 2014 | 29,598 |
| 3 | Effect of the damping function in dispersion corrected density functional theory Stefan Grimme, Stephan Ehrlich, Lars Goerigk · Journal of Computational Chemistry | Mar 2011 | 28,444 |
| 4 | A climbing image nudged elastic band method for finding saddle points and minimum energy paths Graeme Henkelman, Blas Pedro Uberuaga, Hannes Jónsson · The Journal of Chemical Physics | 8 Dec 2000 | 21,923 |
| 5 | General atomic and molecular electronic structure system Michael W. I. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry | Nov 1993 | 20,303 |
| 6 | Energy-adjustedab initio pseudopotentials for the second and third row transition elements Dirk Andrae, U. Häußermann, Michael Dolg et al. · Theoretica Chimica Acta | Mar 1990 | 8,623 |
| 7 | Electronic structure calculations on workstation computers: The program system turbomole Reinhart Ahlrichs, Michael R. Bär, Marco Häser et al. · Chemical Physics Letters | Oct 1989 | 8,526 |
| 8 | Self-consistent molecular orbital methods. XXIII. A polarization-type basis set for second-row elements Michelle Miller Francl, William J. Pietro, Warren J. Hehre et al. · The Journal of Chemical Physics | Oct 1982 | 8,274 |
| 9 | Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F Timothy Clark, Jayaraman Chandrasekhar, Günther W. Spitznagel et al. · Journal of Computational Chemistry | Sep 1983 | 7,254 |
| 10 | A full coupled-cluster singles and doubles model: The inclusion of disconnected triples George D. Purvis, Rodney J. Bartlett · The Journal of Chemical Physics | 15 Feb 1982 | 6,534 |
| 11 | Software update: the ORCA program system, version 4.0 Frank Neese · Wiley Interdisciplinary Reviews Computational Molecular Science | 17 Jul 2017 | 5,900 |
| 12 | Ab‐initio simulations of materials using VASP: Density‐functional theory and beyond Jürgen Häfner · Journal of Computational Chemistry | 11 Jul 2008 | 5,198 |
| 13 | CrystalExplorer : a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals Peter R. Spackman, Michael J. Turner, Joshua J. McKinnon et al. · Journal of Applied Crystallography | 27 Apr 2021 | 5,061 |
| 14 | Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators A. I. Liechtenstein, Vladimir I. Anisimov, Jan Zaanen · Physical review. B, Condensed matter | 15 Aug 1995 | 4,860 |
| 15 | Covalent radii revisited Beatriz Cordero, Verónica Gómez, Ana Eva Platero‐Prats et al. · Dalton Transactions | 2008 | 4,198 |
| 16 | The transition metal dichalcogenides discussion and interpretation of the observed optical, electrical and structural properties John A. Wilson, Abraham D. Yoffe · Advances In Physics | May 1969 | 4,105 |
| 17 | Understanding organofluorine chemistry. An introduction to the C–F bond David O’Hagan · Chemical Society Reviews | 17 Oct 2007 | 4,043 |
| 18 | Linear response approach to the calculation of the effective interaction parameters in the LDA + U method Matteo Cococcioni, Stefano de Gironcoli · Physical Review B | 18 Jan 2005 | 3,695 |
| 19 | Hydrogen bond strengths revealed by topological analyses of experimentally observed electron densities Enrique Espinosa, Elı́es Molins, Claude Lecomte · Chemical Physics Letters | Mar 1998 | 3,620 |
| 20 | Energy-adjusted a b i n i t i o pseudopotentials for the first row transition elements Michael Dolg, Ulrich Wedig, Hermann Stoll et al. · The Journal of Chemical Physics | 15 Jan 1987 | 3,548 |
| 21 | WIEN2k: An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties Peter Blaha, Karlheinz Schwarz, Georg K. H. Madsen et al. | 2019 | 3,390 |
| 22 | Gaussian basis sets for use in correlated molecular calculations. V. Core-valence basis sets for boron through neon David E. Woon, Thom H. Dunning · The Journal of Chemical Physics | 15 Sep 1995 | 2,953 |
| 23 | An efficient method for the evaluation of coupling coefficients in configuration interaction calculations Peter J. Knowles, Hans‐Joachim Werner · Chemical Physics Letters | Apr 1988 | 2,871 |
| 24 | Density functional theory with London dispersion corrections Stefan Grimme · Wiley Interdisciplinary Reviews Computational Molecular Science | Mar 2011 | 2,830 |
| 25 | Dielectric polarizabilities of ions in oxides and fluorides ROBERT D. SHANNON · Journal of Applied Physics | 1993 | 2,805 |
| 26 | WIEN2k: An APW+lo program for calculating the properties of solids Peter Blaha, Karlheinz Schwarz, Fabien Tran et al. · The Journal of Chemical Physics | 19 Feb 2020 | 2,724 |
| 27 | Efficient hybrid density functional calculations in solids: Assessment of the Heyd–Scuseria–Ernzerhof screened Coulomb hybrid functional Jochen Heyd, Gustavo E. Scuseria · The Journal of Chemical Physics | 6 Jul 2004 | 2,598 |
| 28 | Introduction of Fluorine and Fluorine‐Containing Functional Groups Theresa Liang, Constanze N. Neumann, Tobias Ritter · Angewandte Chemie International Edition | 19 Jul 2013 | 2,578 |
| 29 | X-Seed — A Software Tool for Supramolecular Crystallography Leonard J. Barbour · Journal of Supramolecular Chemistry | Jul 2001 | 2,572 |
| 30 | Geometry optimizations in the zero order regular approximation for relativistic effects Erik van Lenthe, Andreas W. Ehlers, Evert-Jan Baerends · The Journal of Chemical Physics | 8 May 1999 | 2,472 |
| 31 | Screened hybrid density functionals applied to solids Joachim A. Paier, Martijn Marsman, Kerstin Hummer et al. · The Journal of Chemical Physics | 17 Apr 2006 | 2,464 |
| 32 | Electronic Shell Structure and Abundances of Sodium Clusters Walter D. Knight, Keith Clemenger, Walt A. de Heer et al. · Physical Review Letters | 11 Jun 1984 | 2,407 |
| 33 | A long-range correction scheme for generalized-gradient-approximation exchange functionals Hisayoshi Iikura, Takao Tsuneda, Takeshi Yanai et al. · The Journal of Chemical Physics | 22 Aug 2001 | 2,397 |
| 34 | Molecular Single‐Bond Covalent Radii for Elements 1–118 Pekka Pyykkö, Michiko Atsumi · Chemistry - A European Journal | 4 Dec 2008 | 2,334 |
| 35 | Halogen bonding: the σ-hole Timothy Clark, Matthias Hennemann, Jane S. Murray et al. · Journal of Molecular Modeling | 23 Aug 2006 | 2,305 |
| 36 | Density-functional theory and NiO photoemission spectra Vladimir I. Anisimov, Igor V. Solovyev, M. A. Korotin et al. · Physical review. B, Condensed matter | 15 Dec 1993 | 2,294 |
| 37 | Catalysis for fluorination and trifluoromethylation Takeru Furuya, Adam S. Kamlet, Tobias Ritter · Nature | May 2011 | 2,227 |
| 38 | Systematically convergent basis sets with relativistic pseudopotentials. II. Small-core pseudopotentials and correlation consistent basis sets for the post- d group 16–18 elements Kirk A. Peterson, Detlev Figgen, Erich Goll et al. · The Journal of Chemical Physics | 14 Nov 2003 | 2,211 |
| 39 | Pseudopotentials periodic table: From H to Pu Andrea Dal Corso · Computational Materials Science | 20 Aug 2014 | 2,054 |
| 40 | Gaussian basis sets for molecular calculations. The representation of 3d orbitals in transition-metal atoms P. Jeffrey Hay · The Journal of Chemical Physics | 15 May 1977 | 2,044 |
| 41 | A generally applicable atomic-charge dependent London dispersion correction Eike Caldeweyher, Sebastian Ehlert, Andreas Hansen et al. · The Journal of Chemical Physics | 19 Apr 2019 | 1,994 |
| 42 | A Combined Charge and Energy Decomposition Scheme for Bond Analysis Mariusz P. Mitoraj, Artur Michalak, Tom Ziegler · Journal of Chemical Theory and Computation | 2 Mar 2009 | 1,949 |
| 43 | From weak to strong interactions: A comprehensive analysis of the topological and energetic properties of the electron density distribution involving X–H⋯F–Y systems Enrique Espinosa, Ibón Alkorta, José Elguero et al. · The Journal of Chemical Physics | 5 Sep 2002 | 1,914 |
| 44 | Consistent van der Waals Radii for the Whole Main Group Manjeera Mantina, Adam C. Chamberlin, Rosendo Valero et al. · The Journal of Physical Chemistry A | 21 Apr 2009 | 1,885 |
| 45 | Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density Corentin Lefebvre, Gaëtan Rubez, Hassan K. Khartabil et al. · Physical Chemistry Chemical Physics | 2017 | 1,843 |
| 46 | The second-order approximate coupled cluster singles and doubles model CC2 Ove Christiansen, Henrik Koch, Poul Jørgensen · Chemical Physics Letters | Sep 1995 | 1,832 |
| 47 | Numerical integration for polyatomic systems G. te Velde, Evert Jan Baerends · Journal of Computational Physics | Mar 1992 | 1,800 |
| 48 | Electronic structure, properties, and phase stability of inorganic crystals: A pseudopotential plane-wave study Victor Milman, B. Winkler, J. A. White et al. · International Journal of Quantum Chemistry | 2000 | 1,764 |
| 49 | Aromatic Trifluoromethylation with Metal Complexes Olesya A. Tomashenko, Vladimir V. Grushin · Chemical Reviews | Apr 2011 | 1,763 |
| 50 | Ammonia Clathrate Hydrate As Seen from Grand Canonical Monte Carlo Simulations Balázs Fábián, Sylvain Picaud, Pál Jedlovszky et al. · ACS Earth and Space Chemistry | 9 Mar 2018 | 1,710 |
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.