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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 …
On–off ratiometric fluorescence europium (III) metal–organic framework for quantitative detection of the inflammatory marker neopterin
C Hong, L Li, JY Zou, SY You, EL Wang… - Inorganic …, 2024 - ACS Publications
Benefiting from the unique photoluminescence behavior of the lanthanide (III) ions and
organic ligands, a lanthanide (III) metal–organic framework (Ln-MOF) material can …
organic ligands, a lanthanide (III) metal–organic framework (Ln-MOF) material can …
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 …
Deep eutectic solvent‐assisted selective extraction of valuable metals from waste lithium‐ion batteries
B Chen, Y Guo, X Zhang, G Yu - AIChE Journal, 2024 - Wiley Online Library
A novel synergistic extractant consisting of a deep eutectic solvent (DES) and tri‐n‐butyl
phosphate (TBP) is proposed for selective extraction of valuable metals from waste lithium …
phosphate (TBP) is proposed for selective extraction of valuable metals from waste lithium …
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 …
IGMPlot: A program to identify, characterize, and quantify molecular interactions
We describe the development and features of a program called IGMPlot, which is based on
the independent gradient model (IGM) and its local descriptor δ g. The IGM approach …
the independent gradient model (IGM) and its local descriptor δ g. The IGM approach …