ionicbondQTAIMThe lowest lying states of LiH have been widely used to develop and calibrate many different methods in quantum mechanics. In this paper, we show that the electron-transfer processes occurring in these two states are a difficult test for chemical bonding descriptors and can be used...
The parameters of the model density are determined in a way which allows proper values of harmonic and anharmonic force constants to be reproduced. Special attention is paid to the role of a saddle point electron density in the determination of molecular charge distribution. To illustrate the ...
This observation poses an interesting question, how strong or fast are the interactions that govern the spin–lattice effect of magnetostriction. Iron platinum (FePt) alloys are a particularly rich example of materials that exhibit such electron–spin–lattice interplay. In the L10 crystal phase, ...
General description of Lithium chlorideApr 11,2022 General description Lithium chloride appears as colorless crystals or powder. Low toxicity. Lithium chloride is a metal chloride salt with a Li(+) counterion. It has a role as an antimanic drug and a geroprotector. It is an inorganic ...
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How does the valence bond description of a carbon-carbon double bond account for cis-trans isomers?Valence Bond Diagram:Valence bond diagram is a diagram used to interpret the arrangement of electrons in each orbital of an atom using their electronic configuration. Thi...
The large amount of methods used to approach this topic is an evidence of the interest it raised over the years, of the challenges it poses and of the different communities that are involved46. Rationalizing this huge amount of original theoretical works is the purpose of this review, which ...
- 《Hortscience A Publication of the American Society for Horticultural Science》 被引量: 156发表: 1984年 Titelbild: Tailoring Electrochemical CO2 Reduction on Copper by Reactive Ionic Liquid and Native Hydrogen Bond Donors (Angew. Chem. 1/2024) The dynamic interplay between a copper electrode and...
electron bonding) and ionic fragments (donoreacceptor bonding) [52e55]. The donor acceptor bonding yields very high values of various energy values (e.g., bond dissociation energy, interaction energy, electrostatic interaction and orbital interactions). We noted that for MeER systems, the shared el...
Valence sums for both Cuand both As atoms are in good agreement with their cor-responding ionic charge, and their coordination polyhedraare CuO5(H2O) and AsO3(OH).Based on the dependence of H· ··O bond valence onO· ··O distance according to Brown and Altermatt (1985)we have ...