Aerogen bonds formed between AeOF 2 (Ae= Kr, Xe) and diazines: comparisons between σ-hole and π-hole complexes
The interaction between KrOF2 or XeOF2 and the 1, 2, 1, 3, and 1, 4 diazines is
characterized chiefly by a Kr/Xe⋯ N aerogen bond, as deduced from ab initio calculations …
characterized chiefly by a Kr/Xe⋯ N aerogen bond, as deduced from ab initio calculations …
Continuum of covalent to intermolecular bonding in the halogen-bonded complexes of 1, 4-diazabicyclo [2.2. 2] octane with bromine-containing electrophiles
C Weinberger, R Hines, M Zeller… - Chemical …, 2018 - pubs.rsc.org
A gradual change of Br⋯ N bond lengths and strengths from the values typical for
intermolecular associates to that characteristic of a covalent bond was observed in a series …
intermolecular associates to that characteristic of a covalent bond was observed in a series …
Interlocking molecular gear chains built on surfaces
Periodic chains of molecular gears in which molecules couple with each other and rotate on
surfaces have been previously explored by us theoretically using ab initio simulation tools …
surfaces have been previously explored by us theoretically using ab initio simulation tools …
Short-range imbalances in the AMBER Lennard-Jones potential for (deoxy) ribose··· nucleobase lone-pair··· π contacts in nucleic acids
The lone-pair··· π (lp··· π)(deoxy) ribose··· nucleobase stacking is a recurring interaction in Z-
DNA and RNAs that is characterized by sub-van der Waals lp··· π contacts (< 3.0 Å). It is a …
DNA and RNAs that is characterized by sub-van der Waals lp··· π contacts (< 3.0 Å). It is a …
Strong electron affinity PDI supramolecules form anion radicals for the degradation of organic pollutants via direct electrophilic attack
X Bai, C Wang, X Wang, T Jia, B Sun, S Yang… - Catalysis Science & …, 2021 - pubs.rsc.org
Pharmaceutical and personal care products (PPCPs) are the most common hazardous
environmental pollutants. Accordingly, PDI anion radicals are promising photocatalysts to …
environmental pollutants. Accordingly, PDI anion radicals are promising photocatalysts to …
n→ π* interaction promoted charge carrier transfer between helical swnts and a 4-(1-pyrenyl) phenyl group
YL Zhao, N Ullah, S Chen… - The Journal of Physical …, 2019 - ACS Publications
Recently, an n→ π* weak interaction has been found to be ubiquitous and significant in
proteins, functional materials, medicines, and biological processes. To reveal the …
proteins, functional materials, medicines, and biological processes. To reveal the …
Intermolecular orbital interaction in π systems
Intermolecular interactions, in regard to which people tend to emphasise the noncovalent
van der Waals (vdW) forces when conducting investigations throughout chemistry, can …
van der Waals (vdW) forces when conducting investigations throughout chemistry, can …
Biochar-based Carbon Materials for Adsorptive Separation and Applications in Catalysis
Carbon-based sorbents derived from sustainable materials have the potential to replace
those derived from fossil-based resources. Biochars have great prospects as sorbents and …
those derived from fossil-based resources. Biochars have great prospects as sorbents and …
[PDF][PDF] Studium molekulových interakcí v nukleových kyselinách:(deoxy) ribosa-báze a fosfát-báze
K Mráziková - is.muni.cz
Z-forma nukleových kyselin obsahuje stacking mezi cukrem a bází, který přispívá k
stabilizaci její struktury. Blízký kontakt atomu O4′ deoxyribosy k bázi, který byl u této …
stabilizaci její struktury. Blízký kontakt atomu O4′ deoxyribosy k bázi, který byl u této …