σ-Holes and σ-lumps direct the Lewis basic and acidic interactions of noble metal nanoparticles: introducing regium bonds

σ-Holes on Transition Metal Nanoclusters and Their Influence on the Local Lewis Acidity

Understanding the molecular interaction behavior of transition metal nanoclusters lies at the heart of their efficient use in, e.g., heterogeneous catalysis, medical therapy and solar energy harvesting. For this purpose, we have evaluated the applicability of the surface electrostatic potential [VS(r)] and the local surface electron attachment energy [ES(r)] properties for characterizing the lo...

Cooperative and Diminutive Interplay between Halogen, Hydride and Cation-σ Interactions

In the present study, the cooperative and diminutive interplay between halogen, hydride, and cation-σ interactions are studied in HMgH···Li+(Na+)···NCCl, Li+(Na+)···HMgH···ClCN and HMgH···ClCN···Li+(Na+) complexes by means of ab initio calculations. To better understand the cooperative or diminutive effects in the ternar...

σ-Normality of Topological Spaces

Mutual interplay between interactions of pi electrons with simultaneous σ-hole interactions: A computational Study

In this study, the role of interaction of pi electrons on the strength of simultaneous σ-hole interactions (pnicogen, chalcogen and halogen bonds) is investigated using the quantum chemical calculations. X-ben||TAZ∙∙∙Y1,Y2,Y3 complexes (X = CN, F, Cl, Br, CH3 , OH and NH2, TAZ= s-triazine and Y1,Y2 and Y3 denotes PH2F, HSF, and ClF molecules) is introduced as a model. The results show that inte...

σ-sporadic prime ideals and superficial elements

Let $A$ be a Noetherian ring, $I$ be an ideal of $A$ and $sigma$ be a semi-prime operation, different from the identity map on the set of all ideals of $A$. Results of Essan proved that the sets of associated prime ideals of $sigma(I^n)$, which denoted by $Ass(A/sigma(I^n))$, stabilize to $A_{sigma}(I)$. We give some properties of the sets $S^{sigma}_{n}(I)=Ass(A/sigma(I^n))setminus A_{sigma}(I...