The acquisition of photosynthesis is a fundamental step in the evolution of eukaryotes.
However, few phototrophic organisms are unambiguously recognized in the Precambrian …

In this work, we present a generalized implementation of the previously developed restricted
open-shell configuration interaction singles (ROCIS) family of methods. The new method …

Agostic interactions are examples of σ-type interactions, typically resulting from interactions
between C–H σ-bonds with empty transition metal d orbitals. Such interactions often reflect …

A review of current works on XANES spectroscopy applied for the determination of
parameters of a threedimensional local atomic structure of nanostructured materials is given …

Bacteria integrate CO2 reduction and acetyl coenzyme-A (CoA) synthesis in the Wood-
Ljungdal pathway. The acetyl-CoA synthase (ACS) active site is a [4Fe4S]-[NiNi] complex (A …

Прецизионное определение параметров локальной атомной структуры материалов
важно как с точки зрения фундаментальной науки для понимания природы …

Abstract The classic Dewar-Chatt-Duncanson (DCD) model describes the bonding in
transition metal-olefin complexes. In this framework, electron density can be bidirectionally …

Proteins with metal cofactors (metalloproteins) are capable to facilitate a large variety of
chemical processes and are involved in the most challenging catalytic reactions eg …