NCIPLOT and the analysis of noncovalent interactions using the reduced density gradient
Noncovalent interactions are of utmost importance. However, their accurate treatment is still
difficult. This is partially induced by the coexistence of many types of interactions and …
difficult. This is partially induced by the coexistence of many types of interactions and …
Halogen bonding: A halogen-centered noncovalent interaction yet to be understood
In addition to the underlying basic concepts and early recognition of halogen bonding, this
paper reviews the conflicting views that consistently appear in the area of noncovalent …
paper reviews the conflicting views that consistently appear in the area of noncovalent …
Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems
T Lu, Q Chen - Journal of computational chemistry, 2022 - Wiley Online Library
The powerful independent gradient model (IGM) method has been increasingly popular in
visual analysis of intramolecular and intermolecular interactions in recent years. However …
visual analysis of intramolecular and intermolecular interactions in recent years. However …
[HTML][HTML] Reactivity, stability, and thermodynamics of para-methylpyridinium-based ionic liquids: Insight from DFT, NCI, and QTAIM
Ionic liquids (ILs) have lately piqued scientific attention due to their potential applications in
green transition technologies such as catalysis, electrochemistry, and photovoltaic. The …
green transition technologies such as catalysis, electrochemistry, and photovoltaic. The …
New way for probing bond strength
J Klein, H Khartabil, JC Boisson… - The Journal of …, 2020 - ACS Publications
The covalent chemical bond is intimately linked to electron sharing between atoms. The
recent independent gradient model (IGM) and its δ g descriptor provide a way to quantify …
recent independent gradient model (IGM) and its δ g descriptor provide a way to quantify …
Investigation of the efficient adsorption performance and adsorption mechanism of 3D composite structure La nanosphere-coated Mn/Fe layered double hydrotalcite …
Severe water eutrophication due to large releases of phosphorus has become a worldwide
environmental problem. Adsorption active sites is less of traditional adsorbents in the …
environmental problem. Adsorption active sites is less of traditional adsorbents in the …
Definition of the tetrel bond
This paper proposes a definition of the term “tetrel bond” based on the evidence
documented in the current literature. It lists the donors, acceptors, as well as related …
documented in the current literature. It lists the donors, acceptors, as well as related …
Ratiometric Fluorescence Thermometry, Quantitative Gossypol Detection, and CO2 Chemical Fixation by a Multipurpose Europium (III) Metal–Organic Framework
L Li, JY Zou, SY You, L Zhang - Inorganic Chemistry, 2023 - ACS Publications
A lanthanide-based molecular crystalline material endows metal–organic frameworks
(MOFs) with many fascinating applications such as fluorescence detection and CO2 …
(MOFs) with many fascinating applications such as fluorescence detection and CO2 …
Definition of the Pnictogen Bond: A Perspective
This article proposes a definition for the term “pnictogen bond” and lists its donors,
acceptors, and characteristic features. These may be invoked to identify this specific subset …
acceptors, and characteristic features. These may be invoked to identify this specific subset …
Definition of the Halogen Bond (IUPAC Recommendations 2013): A Revisit
This Article revisits the “Definition of the Halogen Bond (IUPAC Recommendations
2013)”[Desiraju, GR Pure Appl. Chem. 2013, 85 (8), 1711–1713], recommendations that fail …
2013)”[Desiraju, GR Pure Appl. Chem. 2013, 85 (8), 1711–1713], recommendations that fail …