A group-contribution method in chemistry is a technique to estimate and predict thermodynamic and other properties from molecular structures. In today's...
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slightly the formulas of the old Lydersen method. The Joback method is a group-contribution method. These kinds of methods use basic structural information of...
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triphenylmethyl. Category:Functional groups Group contribution method Compendium of Chemical Terminology (IUPAC "Gold Book") functional group Archived 2019-05-16 at...
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UNIQUAC (section Combinatorial contribution)
basis of the development of the group contribution method UNIFAC, where molecules are subdivided into functional groups. In fact, UNIQUAC is equal to UNIFAC...
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S2CID 4391272. K. Müller; L. Mokrushina; W. Arlt (2012). "Second-Order Group Contribution Method for the Determination of the Dipole Moment". J. Chem. Eng. Data...
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(2008). "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method". International Journal of Thermophysics. 29 (2): 568. Bibcode:2008IJT...
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still is practically useful as one of the best group-contribution methods aside from computational methods such as molecular mechanics. However, the BGIT...
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iodide. The Baker group have shown using decarboxylation, elimination can occur. List of functional groups Group contribution method Xie, Meihua; Wang...
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Klincewicz method is a predictive method based both on group contributions and on a correlation with some basic molecular properties. The method estimates...
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Lydersen method is a group contribution method for the estimation of critical properties temperature (Tc), pressure (Pc) and volume (Vc). The method is named...
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of contemporary physical chemistry. See Group contribution method, Lydersen method, Joback method, Benson group increment theory, quantitative structure–activity...
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the group contribution method applied to a shear viscosity model not displayed. Even though it is an important method, it is thought to be a method for...
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specific, which is a distinctive feature of COSMO-RS as compared to group contribution methods like UNIFAC. The original streamline of COSMO-RS was continuously...
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document), ESDU. Pankow, J. F.; et al. (2008). "SIMPOL.1: a simple group contribution method for predicting vapor pressures and enthalpies of vaporization...
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a wide variety of molecules. The most common of these uses a group contribution method and is termed cLogP. It has been shown that the log P of a compound...
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Compounds to the Fathead Minnow ( Pimephales promelas ) Using a Group Contribution Method". Chemical Research in Toxicology. 14 (10): 1378–1385. doi:10...
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Multistage Multicomponent Separation Processes Using the UNIFAC Group-Contribution Method”, Can.J.Chem.Eng., 64, 759-767, 1986 Mallya J.U., Zitney S.E....
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objective of this method is the simple prediction of the density and not high precision. The method uses purely additive volume contributions for single atoms...
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UNIFAC (redirect from UNIFAC method)
In statistical thermodynamics, the UNIFAC method (UNIQUAC Functional-group Activity Coefficients) is a semi-empirical system for the prediction of non-electrolyte...
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The scientific method is an empirical method for acquiring knowledge that has been referred to while doing science since at least the 17th century. Historically...
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The Socratic method (also known as the method of Elenchus or Socratic debate) is a form of argumentative dialogue between individuals based on asking and...
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(1996). "The Delphi Method and its Contribution to Decision Making". In Adler M, Ziglio E (eds.). Gazing Into the Oracle: The Delphi Method and Its Application...
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calculated using equations of state, such as the Peng–Robinson, or group-contribution methods. Other properties, such as density, can also be calculated using...
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vapor–liquid phase equilibria data collection was the development of the group contribution method UNIFAC which allows to estimate vapor pressures of mixtures. The...
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Kitagawa–Oaxaca–Blinder decomposition (section Method)
statistical method that explains the difference in the means of a dependent variable between two groups by decomposing the gap into within-group and between-group...
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and The Crystal Method. In 2017, Ken Jordan retired from music and left the group, with Scott Kirkland adopting The Crystal Method as a solo moniker...
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Soviet Union, United States and Britain.[a] Poles made substantial contributions to the Allied effort throughout the war, fighting on land, sea, and...
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models like UNIFAC (see also group contribution method) and extensions. For the further development of these widely used methods Gmehling founded an industry...
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theory, the Shapley value is a method (solution concept) for fairly distributing the total gains or costs among a group of players who have collaborated...
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invite private companies to support the further development of the group-contribution methods UNIFAC and its successor modified UNIFAC (Dortmund). Both models...
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