bond - What is charge density? - Chemistry Stack Exchange
2013年1月6日 · "The ratio of the charge of an ion to its volume." The factors playing into the strength of an ion's charge density are therefore the charge of the ion (e.g. 2+ for Mg, 1+ for Na) and the effective volume which that charge acts over - which is where the ionic radius comes in. (Note this is different to atomic radius.) Charge density = charge/volume
What does Partial charge means in Dipole Dipole forces
2021年11月17日 · The bond still only contains 2 electrons each of charge -1. But the probability weighted distribution shows more negative charge around the chlorine. So the partial charge is a function of the probability distribution of electron density which is dependent on the 3D shape of the bonding orbital.
formal charge - Proper notation of doubly charged ions
2020年6月10日 · The IUPAC guide to Quantities, Units and Symbols claims that yet a third “algebraic” method of indicating ionic charges was also used in the past in which the charge preceded the numerical value, as in $\ce{Ba^{+2}}$ and $\ce{PO4^{-3}},$ even though this particular sequence of symbols was originally intended to represent the inherent sign ...
nomenclature - Is there a standard symbol for molar density ...
2012年10月25日 · I agree with Aesin, but I have another comment to make. The term "molar density" has a confused meaning. That is because the density of one mole of a substance is identical to the density of two moles of the substance, or any number of moles of the substance. The term "molar" is most often used to make an extensive quantity into an intensive one.
Which one, Mulliken charge distribution and NBO, is more reliable?
2014年8月24日 · NBO charges are much more reliable, since the operate on the electron density instead. Localised natural atomic orbitals can be used to describe the computed electron density. Polarisation of bonds is therefore considered. This method obviously only works very well for systems, that can actually be (quite well) described by a Lewis structure.
quantum chemistry - What is the difference between ψ, |ψ|², radial ...
2018年3月13日 · According to the Copenhagen interpretation of quantum mechanics, $|\Psi|^2$ is the "probability density" (the probability per volume of finding a particle, such as an electron, in a given volume, in the limit the volume approaches zero).
inorganic chemistry - What is the correct structure of sodium ...
The Lewis structure best describing the thiosulfate molecular ion is having a +2 formal charge at the central sulfur, and a -1 charge on each of the ligand atoms oxygen/ sulfur. (See below for details.) One possible (and more accurate) Lewis structure is therefore:
Mulliken Spin Density - Chemistry Stack Exchange
2020年7月3日 · Knowing that my basis set is reasonable; is there anything to consider that would make Mulliken spin density analysis doubtful? References H-Bonding on spin centres enhances spin–spin coupling for organic diradicals by Francis Kirby B. Burnea, Yeonsig Nama and Jin Yong Lee, Journal of Materials Chemistry C, Issue 10, 2020 ( link )
What is mAh/g Specific capacity? - Chemistry Stack Exchange
2022年11月12日 · $\pu{1 mAh}$ is a non-SI unit of charge, equivalent to $\pu{3.6 C}$. The value usually relates to the whole cell package, but as in the paper, it can relate to one of the electrodes as well, evaluating the electrode charge storage efficiency. Assume this illustrative case:
Why does a Fluoride ion only have a -1 charge and not a -2 …
The fluoride anion can have a negative two charge. It's not impossible to add two electrons to the fluoride anion. But at that point it would be rather unstable as the fluoride anion with a negative 1 formal charge is isoelectronic with a noble gas - neon. In addition, consider the high charge density of the fluoride anion.