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14 Αυγ 2024 · A total of four quantum numbers are used to describe completely the movement and trajectories of each electron within an atom. The combination of all quantum numbers of all electrons in an atom is described by a wave function that complies with the Schrödinger equation.
21 Απρ 2022 · Equation expresses the population difference between the two states involved in a rotational transition in terms of the population of the initial state, the rotational constant for the molecule, \(B\), the temperature of the sample, and the quantum number of the initial state.
17 Αυγ 2006 · This paper discusses recent progress that has been made in the understanding of the electronic structure and bonding situation of carbon monoxide which was analyzed using modern quantum chemical methods.
Describing the electronic structure of, and the nature of the bond in, carbon monoxide in terms of simple bonding models is not a trivial task because of the unusual chemical and physical proper-ties of the molecule, the only monocoordinated carbon compound that is stable under normal conditions.
The mechanisms by which colors are produced in solutions and solids containing molecules and ions can be understood by quantum chemistry. The wavelengths of infrared and microwave radi-ation that are absorbed or emitted by water and carbon monoxide molecules can be calculated by quantum chemical theories.
6 Αυγ 2022 · Here, the authors explore the use of adaptive variational algorithms and demonstrate how they can be used to improve performance when simulating molecules participating in carbon monoxide...
We simulate a set of molecules, participating in the carbon monoxide oxidation processes using the statevector simulator and compare the results with VQE-UCCSD and classical methods.
