Finally, the local stretching force constants were used to identify the strongest bond in chemistry. For this purpose, an electronegativity principle was worked out according to which bond strengthening was accomplished by raising the effective electronegativity of the atoms being bonded. The NN bond ...
crystallographic and computational characterization techniques. The strongest Brønsted acid site is shown to consist of a specific arrangement of adsorbed water and sulfate moieties on the zirconium clusters. When a water molecule adsorbs to one zirconium atom, it participates in a hydrogen bond with...
In amphibactin–Mn(III) complex two of the bond distances showed considerable difference compared to other four Mn–ligand bonds (Table S1). The thermochemical analysis also reveals amphibactin–Co3+ forms the stable complex compared to other amphibactin–metal ions studied. Redox reaction...
From FTIR analysis of various mutants in D2O, the lowest O-D stretching frequency of 2171 cm−1 in BR was assigned to the OW402–H…OAsp-85 bond, implying that this is the strongest H-bond in the network near the Schiff base (7). The band assignment presented in FTIR studies was ...
ETS-NOCV results revealed that both σ(B═B) and π(B═B) contributions are responsible for the changes in Δ E orb values. All considered molecules of the type LB≡BL, 3 -L, exhibit a stronger B≡B bond when compared to a double B═B connection in 2 -L (|Δ E total | is ...
Yamada et al.2002). In the same series, compounds147–149reached the strongest nanomole-level activity at ED50values of 1.75–2.4 ng/ml (Takahashi et al.1994a). Compounds162–169were dimer compounds, where one monomer contains a sulfur bridge resulting in the cytotoxicity being greatly reduced...
Overall, the compound disclosed the strongest bond of ing the main protease enzyme and might be a good lead for further structural optimization.Previous article in issue Next article in issue Keywords SARS-CoV-2 Hydrazide Crystal structurey DFT calculations Molecular docking Molecular dynamics ...
Most toxic in pure form:BerylliumTiny amounts of inhalated beryllium dust damage the lung irreparably (berylliosis). Strongest bond between two atoms of the same kind:NitrogenN2needs 942 kJ/mol to be separated to 2 N Highest magnetic moment:Holmium10.6 μB ...
The spectroscopic features of protonated water species in dilute acid solutions have been long sought after for understanding the microscopic behavior of the proton in water with gas-phase water clusters H+(H2O)n extensively studied as bottom-up model sy
elements adsorbed on SAAs is that adsorption is the strongest when all the bonding and nonbonding MOs withdcontributions are filled (Fig.2g,h). The adsorption energy starts weakening when antibonding states are being populated. But why does filling nonbonding states seemingly strengthen the bond?