The realm of unconventional noncovalent interactions in proteins: their significance in structure and function

VA Adhav, K Saikrishnan - Acs Omega, 2023 - ACS Publications
Proteins and their assemblies are fundamental for living cells to function. Their complex
three-dimensional architecture and its stability are attributed to the combined effect of …

London dispersion in molecular chemistry—reconsidering steric effects

JP Wagner, PR Schreiner - Angewandte Chemie International …, 2015 - Wiley Online Library
London dispersion, which constitutes the attractive part of the famous van der Waals
potential, has long been underappreciated in molecular chemistry as an important element …

Fluorescence of nonaromatic organic systems and room temperature phosphorescence of organic luminogens: the intrinsic principle and recent progress

Q Li, Y Tang, W Hu, Z Li - Small, 2018 - Wiley Online Library
Following the development of photoluminescence systems with various compositions, some
nontraditional structures, including nonaromatic organic systems as fluorophores and …

[HTML][HTML] CH groups as donors in hydrogen bonds: A historical overview and occurrence in proteins and nucleic acids

ZS Derewenda - International Journal of Molecular Sciences, 2023 - mdpi.com
Hydrogen bonds constitute a unique type of non-covalent interaction, with a critical role in
biology. Until fairly recently, the canonical view held that these bonds occur between …

On the nature of the halogen bond

C Wang, D Danovich, Y Mo, S Shaik - Journal of chemical theory …, 2014 - ACS Publications
The wide-ranging applications of the halogen bond (X-bond), notably in self-assembling
materials and medicinal chemistry, have placed this weak intermolecular interaction in a …

Toward a consistent interpretation of the QTAIM: tortuous link between chemical bonds, interactions, and bond/line paths

C Foroutan‐Nejad, S Shahbazian… - Chemistry–A European …, 2014 - Wiley Online Library
Currently, bonding analysis of molecules based on the Quantum Theory of Atoms in
Molecules (QTAIM) is popular; however,“misinterpretations” of the QTAIM analysis are also …

Chemo-, regio-and enantioselective hydroformylation of trisubstituted cyclopropenes: access to chiral quaternary cyclopropanes

S Li, D Zhang, A Purushothaman, H Lv, S Shilpa… - Nature …, 2024 - nature.com
Catalytic asymmetric synthesis of polysubstituted chiral cyclopropane presents a significant
challenge in organic synthesis due to the difficulty in enantioselective control. Here we …

Generalized Kohn‐Sham energy decomposition analysis and its applications

P Su, Z Tang, W Wu - Wiley Interdisciplinary Reviews …, 2020 - Wiley Online Library
Energy decomposition analysis (EDA) methods bridge the gap between electronic structure
calculations and conceptual interpretations of molecular interactions. The recently …

Role of noncovalent interactions in inducing high enantioselectivity in an alcohol reductive deoxygenation reaction involving a planar carbocationic intermediate

S Ghosh, A Changotra, DA Petrone… - Journal of the …, 2023 - ACS Publications
The involvement of planar carbocation intermediates is generally considered undesirable in
asymmetric catalysis due to the difficulty in gaining facial control and their intrinsic stability …

London'sche Dispersionswechselwirkungen in der Molekülchemie–eine Neubetrachtung sterischer Effekte

JP Wagner, PR Schreiner - Angewandte Chemie, 2015 - Wiley Online Library
Abstract Die London'sche Dispersion, die den attraktiven Teil des Van‐der‐Waals‐
Potentials beschreibt, wurde lange als Element struktureller Stabilität in der molekularen …