Most cited papers in Various Chemistry Research Topics
What are the most cited papers in Various Chemistry Research Topics?
The most cited paper in Various Chemistry Research Topics is "Multiwfn: A multifunctional wavefunction analyzer" (Tian Lu, Feiwu Chen, 2011), with 45,639 citations. Next come "Development and testing of a general amber force field" (20,214) and "Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules" (16,002).
Showing 50 of 99 papers. Every paper with more than 971 citations is listed.
| # | Paper | ||
|---|---|---|---|
| 1 | Multiwfn: A multifunctional wavefunction analyzer Tian Lu, Feiwu Chen · Journal of Computational Chemistry | 8 Dec 2011 | 45,639 |
| 2 | Development and testing of a general amber force field Junmei Wang, Romain M. Wolf, James W. Caldwell et al. · Journal of Computational Chemistry | 13 Apr 2004 | 20,214 |
| 3 | Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules Warren J. Hehre, ROBERT DITCHFIELD, John Anthony Pople · The Journal of Chemical Physics | Mar 1972 | 16,002 |
| 4 | Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules ROBERT DITCHFIELD, Warren J. Hehre, John Anthony Pople · The Journal of Chemical Physics | 15 Jan 1971 | 10,685 |
| 5 | Hard and Soft Acids and Bases Ralph G. Pearson · Journal of the American Chemical Society | Nov 1963 | 10,387 |
| 6 | Revealing Noncovalent Interactions Erin R. Johnson, Shahar Keinan, Paula Mori‐Sánchez et al. · Journal of the American Chemical Society | 15 Apr 2010 | 9,624 |
| 7 | Reaction path following in mass-weighted internal coordinates Carlos Alberto Gonzalez, H. Bernhard Schlegel · The Journal of Physical Chemistry | Jul 1990 | 6,003 |
| 8 | Automatic atom type and bond type perception in molecular mechanical calculations Junmei Wang, Wei Wang, Peter A. Kollman et al. · Journal of Molecular Graphics and Modelling | 4 Feb 2006 | 5,755 |
| 9 | Efficacious Form for Model Pseudopotentials Leonard Kleinman, D. M. Bylander · Physical Review Letters | 17 May 1982 | 5,700 |
| 10 | Constants of diatomic molecules Klaus P. Huber, G. Herzberg | 1979 | 5,130 |
| 11 | Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms Thom H. Dunning · The Journal of Chemical Physics | Oct 1970 | 5,033 |
| 12 | Photophysics of aromatic molecules Marl Sharnoff · Journal of Luminescence | Jul 1971 | 4,509 |
| 13 | The colorimetric estimation of formaldehyde by means of the Hantzsch reaction T. Nash · Biochemical Journal | Oct 1953 | 4,405 |
| 14 | Chemical Redox Agents for Organometallic Chemistry Neil G. Connelly, WILLIAM E. JUN. GEIGER · Chemical Reviews | 1996 | 4,203 |
| 15 | PubChem in 2021: new data content and improved web interfaces Sunghwan Kim, Jie Chen, Tiejun Cheng et al. · Nucleic Acids Research | 12 Oct 2020 | 4,131 |
| 16 | NMR Chemical Shifts of Trace Impurities: Common Laboratory Solvents, Organics, and Gases in Deuterated Solvents Relevant to the Organometallic Chemist Gregory R. Fulmer, Alexander J. M. Miller, Nathaniel H. Sherden et al. · Organometallics | 16 Apr 2010 | 4,076 |
| 17 | Molecular Spectra and Molecular Structure. I. Spectra of Diatomic Molecules G. Herzberg, Stephen A. Mrozowski · American Journal of Physics | Sep 1951 | 3,814 |
| 18 | Macromodel—an integrated software system for modeling organic and bioorganic molecules using molecular mechanics Fariborz Mohamadi, Nigel G. J. Richards, Wayne C. Guida et al. · Journal of Computational Chemistry | May 1990 | 3,774 |
| 19 | NMR Chemical Shifts of Common Laboratory Solvents as Trace Impurities Hugo Emilio Gottlieb, Vadim Kotlyar, Abraham Nudelman · The Journal of Organic Chemistry | Oct 1997 | 3,742 |
| 20 | A Production of Amino Acids Under Possible Primitive Earth Conditions Stanley Lloyd Miller · Science | 15 May 1953 | 3,544 |
| 21 | A quick, direct method for the determination of activation energy from thermogravimetric data Joseph H. Flynn, Leo A. Wall · Journal of Polymer Science Part B Polymer Letters | May 1966 | 3,231 |
| 22 | Stereochemistry of organic compounds Torren M. Peakman · Geochimica et Cosmochimica Acta | May 1995 | 2,947 |
| 23 | Structural Inorganic Chemistry Colin Eaborn · Journal of Organometallic Chemistry | Feb 1985 | 2,837 |
| 24 | Using redundant internal coordinates to optimize equilibrium geometries and transition states Chunyang Peng, Philippe Y. Ayala, H. Bernhard Schlegel et al. · Journal of Computational Chemistry | 15 Jan 1996 | 2,751 |
| 25 | Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update Edward P. L. Hunter, Sharon G. Lias · Journal of Physical and Chemical Reference Data | May 1998 | 2,719 |
| 26 | The role of databases in support of computational chemistry calculations David F. Feller · Journal of Computational Chemistry | Oct 1996 | 2,606 |
| 27 | Gabedit—A graphical user interface for computational chemistry softwares Abdul-Rahman Allouche · Journal of Computational Chemistry | 6 Jul 2010 | 2,486 |
| 28 | Reagents for Organic Synthesis Richard C. Larock · Journal of Organometallic Chemistry | May 1976 | 2,346 |
| 29 | Principles of Condensed Matter Physics P. M. Chaikin, T. C. Lubensky, Thomas A. Witten · Physics Today | Nov 1995 | 2,296 |
| 30 | Gaussian Basis Functions for Use in Molecular Calculations. III. Contraction of (10s6p) Atomic Basis Sets for the First-Row Atoms Thom H. Dunning · The Journal of Chemical Physics | 15 Jul 1971 | 2,191 |
| 31 | The conversion of procyanidins and prodelphinidins to cyanidin and delphinidin Lawrence J. Porter, Liana Hrstich, Bock G. Chan · Phytochemistry | Dec 1985 | 2,154 |
| 32 | Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives Péter Pulay, Géza Fogarasi, Frank Pang et al. · Journal of the American Chemical Society | May 1979 | 2,127 |
| 33 | ENCYCLOPEDIA OF CHEMICAL TECHNOLOGY Standen, Anthony, Mark, H. F. (Herman Francis), 1895-1992, Othmer, Donald F. (Donald Frederick), 1904-1995 et al. · Chemical & Engineering News | 16 Jan 1978 | 2,051 |
| 34 | The synchronous-transit method for determining reaction pathways and locating molecular transition states Thomas A. Halgren, William N. Lipscomb · Chemical Physics Letters | Jul 1977 | 2,023 |
| 35 | The Chemistry of Imperfect Crystals F. A. Kröger, Norman H. Nachtrieb · Physics Today | Oct 1964 | 1,992 |
| 36 | A Semi-Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. I. Rudolph Pariser, Robert G. Parr · The Journal of Chemical Physics | Mar 1953 | 1,986 |
| 37 | Definition of the hydrogen bond (IUPAC Recommendations 2011) E. Arunan, Gautam Radhakrishna Desiraju, Roger A. Klein et al. · Pure and Applied Chemistry | 8 Jul 2011 | 1,976 |
| 38 | Molecular Modelling: Principles and Applications José Ramón Valverde · Briefings in Bioinformatics | 2001 | 1,868 |
| 39 | J. Mol. Struct. (Theochem) Ranbir Singh, Bimalendu Deb · Journal of Molecular Structure THEOCHEM | Sep 1996 | 1,818 |
| 40 | Behavior of Ylides Containing N, O, and C Atoms as Hydrogen Bond Acceptors Isabel Rozas, Ibón Alkorta, José Elguero · Journal of the American Chemical Society | Nov 2000 | 1,739 |
| 41 | Molecular Orbital Theory for Organic Chemists ANDREW JUN. STREITWIESER, H. W. Salzberg · Journal of The Electrochemical Society | 1962 | 1,708 |
| 42 | Standard Potentials in Aqueous Solution. Sergio Trasatti · Bioelectrochemistry and Bioenergetics | Jun 1987 | 1,650 |
| 43 | A Semi-Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. II Rudolph Pariser, Robert G. Parr · The Journal of Chemical Physics | May 1953 | 1,649 |
| 44 | Teaching lasers to control molecules Richard Judson, HERSCHEL A. RABITZ · Physical Review Letters | 9 Mar 1992 | 1,574 |
| 45 | Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethylene Péter Pulay, Géza Fogarasi, Gábor Pongor et al. · Journal of the American Chemical Society | Nov 1983 | 1,560 |
| 46 | The E factor 25 years on: the rise of green chemistry and sustainability Roger A. Sheldon · Green Chemistry | 30 Sep 2016 | 1,527 |
| 47 | The D alton quantum chemistry program system Kęstutis Aidas et al. · Wiley Interdisciplinary Reviews Computational Molecular Science | 23 Sep 2013 | 1,523 |
| 48 | An algorithm for the location of transition states Jon Baker · Journal of Computational Chemistry | Aug 1986 | 1,522 |
| 49 | Crystal Engineering: From Molecule to Crystal Gautam Radhakrishna Desiraju · Journal of the American Chemical Society | 10 Jun 2013 | 1,519 |
| 50 | Reagents for Organic Synthesis Millard Maienthal · Journal of AOAC INTERNATIONAL | Dec 1967 | 1,488 |
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.