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Other than using infinite basis sets, two methods exist to eliminate the BSSE. In the chemical Hamiltonian approach (CHA), [4] [5] basis set mixing is prevented a priori, by replacing the conventional Hamiltonian with one in which all the projector-containing terms that would allow mixing have
This glossary of chemistry terms is a list of terms and definitions relevant to chemistry, including chemical laws, diagrams and formulae, laboratory tools, glassware, and equipment. Chemistry is a physical science concerned with the composition, structure, and properties of matter , as well as the changes it undergoes during chemical reactions ...
Quantities, Units and Symbols in Physical Chemistry, also known as the Green Book, is a compilation of terms and symbols widely used in the field of physical chemistry. It also includes a table of physical constants , tables listing the properties of elementary particles , chemical elements , and nuclides , and information about conversion ...
The general form of the Eyring–Polanyi equation somewhat resembles the Arrhenius equation: = ‡ where is the rate constant, ‡ is the Gibbs energy of activation, is the transmission coefficient, is the Boltzmann constant, is the temperature, and is the Planck constant.
Upload file; Search. Search. Appearance. Donate; Create account; ... the choice of such norm is fundamental to estimate the rate of convergence and, in general, all ...
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