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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 ...
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This is a list of unsolved problems in chemistry. Problems in chemistry are considered unsolved when an expert in the field considers it unsolved or when several experts in the field disagree about a solution to a problem.
Any non-linear differentiable function, (,), of two variables, and , can be expanded as + +. If we take the variance on both sides and use the formula [11] for the variance of a linear combination of variables (+) = + + (,), then we obtain | | + | | +, where is the standard deviation of the function , is the standard deviation of , is the standard deviation of and = is the ...
The following outline acts as an overview of and topical guide to chemistry: . Chemistry is the science of atomic matter (matter that is composed of chemical elements), especially its chemical reactions, but also including its properties, structure, composition, behavior, and changes as they relate to the chemical reactions.
The most fundamental concept in chemistry is the law of conservation of mass, which states that there is no detectable change in the quantity of matter during an ordinary chemical reaction. Modern physics shows that it is actually energy that is conserved, and that energy and mass are related; a concept which becomes important in nuclear chemistry.
It means that to increase resolution of two peaks on a chromatogram, one of the three terms of the equation need to be modified. 1) N can be increased by lengthening the column (least effective, as doubling the column will get a 2 1/2 or 1.44x increase in resolution).