Conspectus Water–solid interfaces have attracted extensive attention because of their
crucial roles in a wide range of chemical and physical processes, such as ice nucleation and …

Although machine learning potentials have recently had a substantial impact on molecular
simulations, the construction of a robust training set can still become a limiting factor …

The simulation of nuclear quantum effects (NQEs) is crucial for an accurate description of
systems and processes involving light nuclei, such as hydrogen atoms. Within the last years …

We report on the growth of one-dimensional (1D) chains of the prochiral quinacridone (QA)
molecule on ultrathin KCl films on Cu (111) in ultrahigh vacuum. Using low-temperature …

This review provides a comprehensive examination of the applications of the seminal
coupling principle introduced by Siegfried Dähne and Dieter Leupold in 1966. Their …

Thef formation of self-assembled aggregates and domains of quinacridone (QA) on epitaxial
KCl layers on the Ag (100) surface was investigated by scanning tunneling microscopy. If QA …

Pyridoxal 5′-phosphate (PLP)-dependent enzymes have been extensively studied for their
ability to fine-tune PLP cofactor electronics to promote a wide array of chemistries. Neutron …

One-dimensional (1D) metal–organic (MO) nanowires are captivating from fundamental and
technological perspectives due to their distinctive magnetic and electronic properties. The …

High resolution non-contact atomic force microscopy measurements characterize
assemblies of trimesic acid molecules on Cu (111) and the link group interactions, providing …

The fundamental unit for comprehending the physicochemical properties of water, the
Zundel cation configuration H5O2+, has yet to be exhaustively evaluated in terms of its …