molecular orbital oor Nederlands
molecular orbital
en
(quantum mechanics), (chemistry) The quantum mechanical behaviour of an electron in a molecule describing the probability of the electron's particular position and energy; approximated by a linear combination of atomic orbitals.
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moleculair orbitaal
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energy level in a molecule
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At both NYU and Chicago, he continued to refine his molecular-orbital theory.
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The combination of two atomic orbitals produces two molecular orbitals.
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A molecular orbital covers the entire molecule and has a definite shape and energy.
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After the molecular orbitals form, you put electrons in.
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In molecular orbital theory, the atoms are modeled to be held together by a 3-center 4-electron bond.
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Computer software and analysis devices for use in modeling of peptide-silica interaction based on four-body corrected fragment molecular orbital (FM04) calculations
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Molecular orbital theory can predict magnetic and ionization properties in a straightforward manner, while valence bond theory gives similar results but is more complicated.
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A linear combination of atomic orbitals or LCAO is a quantum superposition of atomic orbitals and a technique for calculating molecular orbitals in quantum chemistry.
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This means that, the combination of these nine atomic orbitals with ligand orbitals creates nine molecular orbitals that are either metal-ligand bonding or non-bonding.
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The electron donating power of a donor molecule is measured by its ionization potential, which is the energy required to remove an electron from the highest occupied molecular orbital.
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In particular, valence bond theory correctly predicts the dissociation of homonuclear diatomic molecules into separate atoms, while simple molecular orbital theory predicts dissociation into a mixture of atoms and ions.
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The improved Felkin–Anh model, as discussed above, makes a more sophisticated assessment of the polar effect by considering molecular orbital interactions in the stabilization of the preferred transition state.
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Since the Pauli exclusion principle dictates that no two electrons in the solid have the same quantum numbers, each atomic orbital splits into N discrete molecular orbitals, each with a different energy.
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The six bonding molecular orbitals that are formed are "filled" with the electrons from the ligands, and electrons from the d-orbitals of the metal ion occupy the non-bonding and, in some cases, anti-bonding MOs.
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In fact, Robert S. Mulliken, who was awarded the 1966 Nobel Prize in chemistry for molecular orbital theory, always proclaimed the great influence Hund's work had on his own and that he would have gladly shared the Nobel prize with Hund.
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So if two identical atoms combine to form a diatomic molecule, each atomic orbital splits into two molecular orbitals of different energy, allowing the electrons in the former atomic orbitals to occupy the new orbital structure without any having the same energy.
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Modern valence bond theory now complements molecular orbital theory, which does not adhere to the valence bond idea that electron pairs are localized between two specific atoms in a molecule but that they are distributed in sets of molecular orbitals which can extend over the entire molecule.
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In complexes of metals with these d-electron configurations, the non-bonding and anti-bonding molecular orbitals can be filled in two ways: one in which as many electrons as possible are put in the non-bonding orbitals before filling the anti-bonding orbitals, and one in which as many unpaired electrons as possible are put in.
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In the original publication in 1965, the three rules distilled from experimental evidence and molecular orbital analysis appeared as follows: In an open-chain system containing 4n π electrons, the orbital symmetry of the highest occupied molecule orbital is such that a bonding interaction between the termini must involve overlap between orbital envelopes on opposite faces of the system and this can only be achieved in a conrotatory process.
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Molecular orbital - Wikipedia
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Molecular orbitals are further divided according to the types of atomic orbitals combining to form a bond.
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The combination of three atomic orbitals form three molecular orbitals: one bonding, one non-bonding, and one anti-bonding.
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The six bonding molecular orbitals result from the combinations of ligand SALC's with metal orbitals of the same symmetry.
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Now, it has been renamed QMForge, and I use it for almost everything except making molecular orbital pictures and diagrams.
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The classical example in the application of the molecular orbital theory is the deep blue of sapphire due to iron and titanium.
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30 sinne gevind in 19 ms. Hulle kom uit baie bronne en word nie nagegaan nie.