Given planck's constant in J*S, and converting B_e from cm^-1 to J, I don't see where i cancel the units of mass (Kg) or time (S), or even where length comes from. Even inputting an alternative version of this equation (found online) it doesn't cancel out the units for mas...
Our results suggest that the accuracy of the calculated bending depends on accurate treatment of both the secondary interactions and the bond length in the hydrogen-bonded HCl. We find that current density functionals are rather inadequate for such bent hydrogen bonds. Even the structure is not ...
For N–H N hydrogen bonds, the dependence of the N–H length on the H N distance is studied using neutron diffraction data; this dependence is the same for both charged and uncharged N–H donors; geometry predictions for strong hydrogen bonds and values for the shortest possible N N and...
Mechanism of benzene hydroxylation by high-valent bare Fe iv [double bond, length as m-dash]O 2+ : explicit electronic structure analysis The conversion of benzene to phenol by high-valent bare FeO2+ was comprehensively explored using a density functional theory method. The conductor-like scr....
HCl3.311.0116.8421.16 NH313.321.5514.7529.62 H2O36.411.939.0147.35 A special case is that ofhydrogen bondingwhere the hydrogen atom attached to a proton donor group (e.g., carboxyl, hydroxyl, amine, or amide group) is shared with a basic, proton-accepting group (e.g., the oxygen in a ...
On the Correlation between Bond-Length Change and Vibrational Frequency Shift in Hydrogen-Bonded Complexes: A Computational Study of Y···HCl Dimers ... The H−Cl bond-length change and the harmonic vibrational frequency shift of the H−Cl stretch on formation of the linear isoelectronic...
On the correlation between bond-length change and vibrational frequency shift in hydrogen-bonded complexes: a computational study of Y...HCl dimers (Y = N2... and second derivatives of the interaction energy with respect to displacement of the H-Cl bond length from its equilibrium value in the...
Double-stranded ribonucleic acids (dsRNA) are ubiquitous in all major groups and most of them have vast potential as biological control agents for fungi. Rate of virulence and its further association could ascertain by host plant and their fungal genotypes. Variability of the fungal genotypes ...
1b–e). We did not, however, measure significant binding events on sulfo-SANPAH functionalised stiff hydrogels, primarily because the rupture length was very short on these gels (Supplementary Fig. 1e). The short rupture length on stiff sulfo-SANPAH substrates, which have relatively high ECM ...
The distance between the nuclei of two atoms when their potential energy reaches a minima is also known asbond length. The forces of attraction between these two atoms are maximum at this point. However, the repulsion forces dominate over the attraction forces when these atoms are bring further...