Molecular balances for quantifying non-covalent interactions [PDF]
Chemical Society Reviews, 2010 Molecular interactions underlie the whole of chemistry and biology. This tutorial review illustrates the use of rotameric folding molecules, topoisomers, atropoisomers, and tautomers as molecular balances for quantifying non-covalent interactions.
Mati, Ioulia K +1 more
openaire +4 more sources
Non-Covalent Interactions in Coordination and Organometallic Chemistry
Crystals, 2020 The problem of non-covalent interactions in coordination and organometallic compounds is a hot topic in modern chemistry, material science, crystal engineering and related fields of knowledge.
Alexander S. Novikov
doaj +2 more sources
Non-Covalent Interactions Atlas Benchmark Data Sets 5: London Dispersion in an Extended Chemical Space [PDF]
, 2022 The Non-Covalent Interactions Atlas (www.nciatlas.org) has been extended with two data sets of benchmark interaction energies in complexes dominated by London dispersion.
Jan, Řezáč
core +1 more source
Non-covalent interactions drive the Young modulus of oligolignols-cellulose complexes. [PDF]
, 2022 Oligolignols composition in an efficient adhesive formulation, were studied to identify the interactions that drive their contact and Young’s modulus with a cellulose surface.
Marco, Gallo +6 more
core +2 more sources
Molecular torsion balances for quantifying non-covalent interactions [PDF]
, 2013 Non-covalent interactions underpin the whole of chemistry and biology, but their study is extremely difficult in complicated biological systems. This thesis presents the application of synthetic molecular balances for gaining fundamental insights into ...
Mati, Ioulia
core +3 more sources
Conformational preference analysis in C2H6 using Orbital Forces and Non-Covalent Interactions; comparison with related systems [PDF]
, 2022 Dynamic Orbital Forces (DOF) and Non-Covalent Interactions (NCIs) allow an analysis of the attractive/repulsive interactions whose variations lead to the staggered preference of ethane and some related compounds.
Patrick, Chaquin +2 more
core +2 more sources
Non-Covalent Interactions Mimic the Covalent: An Electrode-Orthogonal Self-Assembled Layer. [PDF]
J Am Chem Soc, 2023 Charge-transfer events central to energy conversion and storage and molecular sensing occur at electrified interfaces. Synthetic control over the interface is traditionally accessed through electrode-specific covalent tethering of molecules.
Badgurjar D +3 more
europepmc +2 more sources
Physical networks from entropy-driven non-covalent interactions
Nature Communications, 2021 Physical networks typically employ enthalpy-dominated crosslinking interactions that become more dynamic at elevated temperatures. Here, the authors report an entropy-driven physical network based on polymer-nanoparticle interactions that exhibits ...
Anthony C. Yu +5 more
doaj +1 more source
Non-covalent Interactions in Coordination and Organometallic Chemistry
, 2022 Non-covalent interactions in coordination and organometallic compounds (hydrogen, halogen, chalcogen, pnictogen, tetrel, and semi-coordination bonds; agosic and anagosic interactions; stacking, anion-/cation-π interactions; metallophilic interactions ...
core +1 more source
A benchmark for non-covalent interactions in organometallic crystals
Physical Chemistry Chemical Physics, 2022 XTMC43 is a benchmark set to assess computational means to describe cohesive interactions in crystals of transition metal complexes.
José Eduardo Zamudio Díaz Mirón +1 more
openaire +3 more sources