Results 21 to 30 of about 2,891,661 (273)

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
doaj   +1 more source

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

Studying Noncovalent Interactions in Molecular Systems with Machine Learning [PDF]

Chemical Reviews
Robert Pollice, Akshatkumar Nigam
exaly   +2 more sources

Tryptophan, an Amino-Acid Endowed with Unique Properties and Its Many Roles in Membrane Proteins

Crystals, 2021
Tryptophan is an aromatic amino acid with unique physico-chemical properties. It is often encountered in membrane proteins, especially at the level of the water/bilayer interface.
Sonia Khemaissa, Sandrine Sagan, Astrid Walrant   +2 more
doaj   +1 more source

Covalently triggered self-assembly of peptide-based nanodrugs for cancer theranostics

iScience, 2023
Summary: Covalently triggered peptide self-assembly is achieved through sequential integration of spontaneous covalent reaction and noncovalent interactions, thus both enhancing the physiological stability and extending unexpected functionality of the ...
Yamei Liu, Ruirui Xing, Junbai Li, Xuehai Yan   +3 more
doaj   +1 more source

σ- and π-Hole Interactions [PDF]

, 2021
This book describes unconventional noncovalent interactions and analyzes their importance for crystal growth in organic and hybrid organic–inorganic systems.

core   +2 more sources

Analysis of CF···FC interactions on cyclohexane and naphthalene frameworks [PDF]

, 2014
The authors thank EaStCHEM, the Royal Society (for a Wolfson Merit Award for D.O’H.) and CNPq and FAPESP are also gratefully acknowledged for the studentships (to R.A.C.
Rodrigo A. Cormanich (1751113), Cormanich, Rodrigo A., Rittner, Roberto, Roberto Rittner (364724), O'Hagan, David, Michael Bühl (1317231), David O’Hagan (1313640), Buehl, Michael   +7 more
core   +1 more source

Evaluation of Electron Density Shifts in Noncovalent Interactions [PDF]

The Journal of Physical Chemistry A, 2021
In the present paper, we report the quantitative evaluation of the electron density shift (EDS) maps within different complexes. Values associated with the total EDS maps exhibited good correlation with different quantities such as interaction energies, Eint, intermolecular distances, bond critical points, and LMOEDA energy decomposition terms. Besides,
Iñigo Iribarren, Goar Sánchez-Sanz, Ibon Alkorta, José Elguero, Cristina Trujillo   +4 more
openaire   +5 more sources

Noncovalent interactions: A brief account of a long history [PDF]

, 2022
The history of noncovalent interactions is outlined, starting with early interpretations of the symmetry of crystals, then with the fast development of coordination chemistry, and of fundamental analyses in the last century. An attempt is made to provide
Schneider, Hans‐Jörg
core   +1 more source