Results 1 to 10 of about 2,976,941 (240)

Methyl groups as widespread Lewis bases in noncovalent interactions

Nature Communications, 2021
Tetrel bonds are noncovalent interactions between electron donors and group 14 elements; in these situations, C(sp3) atoms can act as Lewis acids, accepting electron density.
Oliver Loveday, Jorge Echeverría
doaj   +2 more sources

Modeling noncovalent interatomic interactions on a photonic quantum computer [PDF]

Physical Review Research, 2023
Noncovalent interactions are a key ingredient to determine the structure, stability, and dynamics of materials, molecules, and biological complexes.
Matthieu Sarkis, Alessio Fallani, Alexandre Tkatchenko   +2 more
doaj   +2 more sources

A molecular descriptor of intramolecular noncovalent interaction for regulating optoelectronic properties of organic semiconductors

Nature Communications, 2023
In recent years, intramolecular noncovalent interaction has become an important means to modulate the optoelectronic performances of organic/polymeric semiconductors. However, it lacks a deep understanding and a direct quantitative relationship among the
Meihui Liu, Xiao Han, Hao Chen, Qian Peng, Hui Huang   +4 more
doaj   +1 more source

Aurophilic Interactions in Cationic Three-Coordinate Gold(I) Bipyridyl/Isocyanide Complex

Crystals, 2022
Gold(I) isocyanide complexes featuring Au···Au interactions attract considerable attention because of their tunable photophysical properties. Although the synthetic exploration of isocyanide gold(I) complexes seems reasonable, their structural diversity ...
Mariya V. Grudova, Alexander S. Novikov, Alexey S. Kubasov, Victor N. Khrustalev, Anatoly A. Kirichuk, Valentine G. Nenajdenko, Alexander G. Tskhovrebov   +6 more
doaj   +1 more source

Not Only Hydrogen Bonds: Other Noncovalent Interactions

Crystals, 2020
In this review, we provide a consistent description of noncovalent interactions, covering most groups of the Periodic Table. Different types of bonds are discussed using their trivial names. Moreover, the new name "Spodium bonds" is proposed for group 12
Ibon Alkorta, José Elguero, Antonio Frontera   +2 more
doaj   +1 more source

Insight to Functional Conformation and Noncovalent Interactions of Protein-Protein Assembly Using MALDI Mass Spectrometry

Molecules, 2020
Noncovalent interactions are the keys to the structural organization of biomolecule e.g., proteins, glycans, lipids in the process of molecular recognition processes e.g., enzyme-substrate, antigen-antibody.
Marco Giampà, Elvira Sgobba
doaj   +1 more source

Theoretical Investigation on Non-Covalent Interactions

Crystals, 2022
This editorial is dedicated to announcing the Special Issue “Theoretical investigation on non-covalent interactions” of Crystals. The Special Issue covers the most recent progress in the rapidly growing fields of data science, artificial intelligence ...
Alexander S. Novikov
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Noble Gas Bonding Interactions Involving Xenon Oxides and Fluorides

Molecules, 2020
Noble gas (or aerogen) bond (NgB) can be outlined as the attractive interaction between an electron-rich atom or group of atoms and any element of Group-18 acting as an electron acceptor.
Antonio Frontera
doaj   +1 more source

Noncovalent chalcogen and tetrel bonding interactions: Spectroscopic study of halide–carbonyl sulfide complexes

Natural Sciences, 2023
Chalcogen and tetrel intermolecular bonding interactions formed between carbonyl sulfide and halide anions have been studied utilizing a combined experimental and theoretical approach.
Christian T. Haakansson, Peter D. Watson, Timothy R. Corkish, Hayden T. Robinson, Allan J. McKinley, Duncan A. Wild   +5 more
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Intrinsic Dynamic and Static Nature of Halogen Bonding in Neutral Polybromine Clusters, with the Structural Feature Elucidated by QTAIM Dual-Functional Analysis and MO Calculations

Molecules, 2021
The intrinsic dynamic and static nature of noncovalent Br-∗-Br interactions in neutral polybromine clusters is elucidated for Br4–Br12, applying QTAIM dual-functional analysis (QTAIM-DFA).
Satoko Hayashi, Taro Nishide, Eiichiro Tanaka, Waro Nakanishi   +3 more
doaj   +1 more source