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The Chemistry of the Actinide and Transactinide Elements (3rd ed.). Dordrecht, The Netherlands: Springer Science+Business Media. ISBN 1-4020-3555-1. (for predictions) Cotton, Simon (2006). Lanthanide and Actinide Chemistry. John Wiley & Sons Ltd. Fricke, Burkhard (1975). "Superheavy elements: a prediction of their chemical and physical properties".
[1] [2] For example, the Gibbs free energy of a compound in the area of thermochemistry is often quantified in units of kilojoules per mole (symbol: kJ·mol −1 or kJ/mol), with 1 kilojoule = 1000 joules. [3] Physical quantities measured in J·mol −1 usually describe quantities of energy transferred during phase transformations or chemical ...
Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods .
The first of these quantities is used in atomic physics, the second in chemistry, but both refer to the same basic property of the element. To convert from "value of ionization energy" to the corresponding "value of molar ionization energy", the conversion is: 1 eV = 96.48534 kJ/mol 1 kJ/mol = 0.0103642688 eV [12]
Spartan is a molecular modelling and computational chemistry application from Wavefunction. [2] It contains code for molecular mechanics, semi-empirical methods, ab initio models, [3] density functional models, [4] post-Hartree–Fock models, [5] thermochemical recipes including G3(MP2) [6] and T1.
Computational chemistry is a branch of chemistry that uses computer simulations to assist in solving chemical problems. [1] It uses methods of theoretical chemistry incorporated into computer programs to calculate the structures and properties of molecules , groups of molecules, and solids. [ 2 ]
You'll meet the one when you embrace creativity, talents, fun, and hobbies and let your inner child play wild and free. Youthful vitality, charisma, and bold proclamations of love set your partner ...
In thermodynamics, the enthalpy of sublimation, or heat of sublimation, is the heat required to sublimate (change from solid to gas) one mole of a substance at a given combination of temperature and pressure, usually standard temperature and pressure (STP).