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In quantum chemistry, the quantum theory of atoms in molecules (QTAIM), sometimes referred to as atoms in molecules (AIM), is a model of molecular and condensed matter electronic systems (such as crystals) in which the principal objects of molecular structure - atoms and bonds - are natural expressions of a system's observable electron density distribution function.
The study of molecules by molecular physics and theoretical chemistry is largely based on quantum mechanics and is essential for the understanding of the chemical bond. The simplest of molecules is the hydrogen molecule-ion, H 2 +, and the simplest of all the chemical bonds is the one-electron bond.
The concentration of hydrogen ions and pH are inversely proportional; in an aqueous solution, an increased concentration of hydrogen ions yields a low pH, and subsequently, an acidic product. By definition, an acid is an ion or molecule that can donate a proton, and when introduced to a solution it will react with water molecules (H 2 O) to ...
The dihydrogen cation or hydrogen molecular ion is a cation (positive ion) with formula +. It consists of two hydrogen nuclei , each sharing a single electron. It is the simplest molecular ion. The ion can be formed from the ionization of a neutral hydrogen molecule by
Quantum chemistry may be applied to the prediction and verification of spectroscopic data as well as other experimental data. Many quantum chemistry studies are focused on the electronic ground state and excited states of individual atoms and molecules as well as the study of reaction pathways and transition states that occur during chemical ...
Once an electron is in this lowest orbit, it can get no closer to the nucleus. Starting from the angular momentum quantum rule as Bohr admits is previously given by Nicholson in his 1912 paper, [18] [19] [21] [20] Bohr [11] was able to calculate the energies of the allowed orbits of the hydrogen atom and other hydrogen-like atoms and ions.
Atoms can be excited by heat, electricity, or light. The hydrogen atom provides a simple example of this concept.. The ground state of the hydrogen atom has the atom's single electron in the lowest possible orbital (that is, the spherically symmetric "1s" wave function, which, so far, has been demonstrated to have the lowest possible quantum numbers).
For instance, in the simple case of a hydrogen diatomic molecule, promotion of a single electron from a bonding orbital to an antibonding orbital can occur under UV radiation. This promotion weakens the bond between the two hydrogen atoms and can lead to photodissociation, the breaking of a chemical bond due to the absorption of light.