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Most cited papers in Thermal and Kinetic Analysis

What are the most cited papers in Thermal and Kinetic Analysis?

The most cited paper in Thermal and Kinetic Analysis is "From molecules to solids with the DMol3 approach" (B. Delley, 2000), with 11,112 citations. Next come "The kinetics of precipitation from supersaturated solid solutions" (8,460) and "Kinetic Parameters from Thermogravimetric Data" (6,927).

Showing 50 of 100 papers. Every paper with more than 821 citations is listed.

Most cited papers, sortable by citations and release date
#Paper
1 From molecules to solids with the DMol3 approach B. Delley · The Journal of Chemical Physics Open access 8 Nov 2000 11,112
2 The kinetics of precipitation from supersaturated solid solutions I.M. Lifshitz, V.V. Slyozov · Journal of Physics and Chemistry of Solids Apr 1961 8,460
3 Kinetic Parameters from Thermogravimetric Data A. W. Coats, John P. Redfern · Nature 1964 6,927
4 A New Method of Analyzing Thermogravimetric Data Takeo Ozawa · Bulletin of the Chemical Society of Japan Open access Nov 1965 6,912
5 Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors Anthony P. Scott, Leo Radom · The Journal of Physical Chemistry 1996 6,735
6 ICTAC Kinetics Committee recommendations for performing kinetic computations on thermal analysis data Sergey Vyazovkin, Alan K. Burnham, José Manuel Criado et al. · Thermochimica Acta Open access 9 May 2011 5,944
7 Necessary and sufficient elastic stability conditions in various crystal systems Félix Mouhat, François‐Xavier Coudert · Physical Review B Open access 5 Dec 2014 5,076
8 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
9 Kinetics of thermal degradation of char‐forming plastics from thermogravimetry. Application to a phenolic plastic Henry L. Friedman · Journal of Polymer Science Part C Polymer Symposia 1964 3,892
10 Optimization of parameters for semiempirical methods II. Applications James J. P. Stewart · Journal of Computational Chemistry Mar 1989 3,757
11 Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements James J. P. Stewart · Journal of Molecular Modeling Open access 8 Sep 2007 3,712
12 The Scherrer equation versus the 'Debye-Scherrer equation' Uwe Holzwarth, P.N. Gibson · Nature Nanotechnology 28 Aug 2011 3,400
13 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
14 Gaussian-3 (G3) theory for molecules containing first and second-row atoms Larry A. Curtiss, Krishnan Raghavachari, Paul C. Redfern et al. · The Journal of Chemical Physics 8 Nov 1998 2,879
15 A unified correlation for estimating HHV of solid, liquid and gaseous fuels Salim Abbasbhai Channiwala, P.P. Parikh · Fuel May 2002 2,496
16 Charge, bond order and valence in the AB initio SCF theory I. Mayer · Chemical Physics Letters May 1983 2,263
17 General treatment of the thermogravimetry of polymers Joseph H. Flynn, Leo A. Wall · Journal of Research of the National Bureau of Standards Section A Physics and Chemistry Open access Nov 1966 2,161
18 Gaussian-4 theory Larry A. Curtiss, Paul C. Redfern, Krishnan Raghavachari · The Journal of Chemical Physics Open access 28 Feb 2007 2,126
19 Hansen Solubility Parameters: A User's Handbook Charlès M. Hansen · Thammasat University Digital Collections 17 Sep 1999 2,083
20 Electronegativity values from thermochemical data Albert L. Allred · Journal of Inorganic and Nuclear Chemistry Jun 1961 2,074
21 FactSage thermochemical software and databases, 2010–2016 Christopher William Bale, Ève Bélisle, Patrice Chartrand et al. · Calphad Open access 9 Jun 2016 2,069
22 Evolution of nitrogen functionalities in carbonaceous materials during pyrolysis Jan R. Pels, Freek Kapteijn, Jacob A. Moulijn et al. · Carbon 1995 2,036
23 Synthesis and Stability of Tagged UiO-66 Zr-MOFs Mathivathani Kandiah, Merete Hellner Nilsen, Sandro Usseglio et al. · Chemistry of Materials 3 Dec 2010 2,029
24 Solid-State Kinetic Models: Basics and Mathematical Fundamentals Ammar Khawam, Douglas R. Flanagan · The Journal of Physical Chemistry B 15 Aug 2006 2,021
25 ESTIMATION OF PURE-COMPONENT PROPERTIES FROM GROUP-CONTRIBUTIONS Kevin G. Joback, Robert Cortas Reid · Chemical Engineering Communications Jul 1987 2,008
26 The Osmotic Potential of Polyethylene Glycol 6000 Burlyn E. Michel, Merrill R. Kaufmann · PLANT PHYSIOLOGY Open access May 1973 1,996
27 A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions Lars Goerigk, Andreas Hansen, Christoph Alexander Bauer et al. · Physical Chemistry Chemical Physics Open access 2017 1,993
28 Oxidations carried out by means of vanadium oxide catalysts P. H. Mars, D.W. Van Krevelen · Chemical Engineering Science 1954 1,989
29 Chemical Kinetic Data Base for Combustion Chemistry. Part I. Methane and Related Compounds Wing Sum Tsang, Robert F Hampson · Journal of Physical and Chemical Reference Data Jul 1986 1,948
30 The determination of activation energy from linear heating rate experiments: a comparison of the accuracy of isoconversion methods Marco Jan Starink · Thermochimica Acta 25 Apr 2003 1,945
31 Reproducibility in density functional theory calculations of solids Kurt Lejaeghere et al. · Science Open access 24 Mar 2016 1,667
32 FactSage thermochemical software and databases — recent developments Christopher William Bale, Ève Bélisle, P. Chartrand et al. · Calphad 11 Oct 2008 1,666
33 Theoretical x-ray absorption fine structure standards John J. Rehr, J. Mustre de León, S. I. Zabinsky et al. · Journal of the American Chemical Society Jul 1991 1,614
34 Negative Thermal Expansion from 0.3 to 1050 Kelvin in ZrW 2 O 8 T. Arokiya Mary, John S. O. Evans, Thomas Vogt et al. · Science 5 Apr 1996 1,584
35 Ionization Potential, Electron Affinity, Electronegativity, Hardness, and Electron Excitation Energy: Molecular Properties from Density Functional Theory Orbital Energies Chang‐Guo Zhan, Jeffrey A. Nichols, David A. Dixon · The Journal of Physical Chemistry A 26 Apr 2003 1,561
36 The COMPASS force field: parameterization and validation for phosphazenes Huai Sun, Pengyu Y. Ren, Joel Fried · Computational and Theoretical Polymer Science 1998 1,560
37 Thermophysical Properties of Imidazolium-Based Ionic Liquids Christopher P. Fredlake, Jacob M. Crosthwaite, Daniel G. Hert et al. · Journal of Chemical & Engineering Data 10 Jun 2004 1,543
38 Study of the kinetics of the mechanism of solid-state reactions at increasing temperatures Jaroslav S̈esták, Gunnar Berggren · Thermochimica Acta Oct 1971 1,522
39 Intermolecular Nonbonded Contact Distances in Organic Crystal Structures: Comparison with Distances Expected from van der Waals Radii R. Scott Rowland, Robin Taylor · The Journal of Physical Chemistry 1996 1,480
40 Solution Combustion Synthesis of Nanoscale Materials Arvind Varma, Alexander S. Mukasyan, А. С. Рогачев et al. · Chemical Reviews ReviewOpen access 9 Sep 2016 1,457
41 Model-free and model-fitting approaches to kinetic analysis of isothermal and nonisothermal data Sergey Vyazovkin, Charles A. Wight · Thermochimica Acta Dec 1999 1,412
42 Crystal Structure of Hydroxyapatite M. I. Kay, RICHARD A. YOUNG, A. S. Posner · Nature Dec 1964 1,385
43 Kinetic analysis of thermogravimetric data CHARLES D. DOYLE · Journal of Applied Polymer Science May 1961 1,357
44 ICTAC Kinetics Committee recommendations for collecting experimental thermal analysis data for kinetic computations Sergey Vyazovkin, K. Chrissafis, Maria Laura Di Lorenzo et al. · Thermochimica Acta 2 Jun 2014 1,329
45 Effective core potential methods for the lanthanides Thomas R. Cundari, Walter J. Stevens · The Journal of Chemical Physics Apr 1993 1,283
46 Azole-Based Energetic Salts Haixiang Gao, Jean’ne M. Shreeve · Chemical Reviews Review 12 Aug 2011 1,268
47 Calculation of the Avrami parameters for heterogeneous solid state reactions using a modification of the Kissinger method JACQUES A. AUGIS, James Edward Bennett · Journal of thermal analysis Apr 1978 1,237
48 New group contribution method for estimating properties of pure compounds Leonidas Constantinou, Rafiqul Gani · AIChE Journal Oct 1994 1,232
49 Biomass pyrolysis kinetics: A comparative critical review with relevant agricultural residue case studies John E. White, W. James Catallo, B. L. Legendre · Journal of Analytical and Applied Pyrolysis 15 Jan 2011 1,228
50 A random pore model for fluid‐solid reactions: I. Isothermal, kinetic control Suresh Kumar Bhatia, D. D. Perlmutter · AIChE Journal May 1980 1,228

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.