Laser photoionization spectroscopy provides extremely high accuracy in determining
ionization energies of jet-cooled bisarene complexes, metallocenes and mixed sandwich …

Transition-metal sandwich complexes play key roles in various fields such as fundamental
and applied chemistry; many of their unique properties arise from their ability to form stable …

In this work, a computational method to study the spin-crossover (SCO) behavior of the [Cr (n-
Meindenyl) 2] family was carried out. Using the TPSSh/Def2TZVP method with the GD3BJ …

Metallocenes represent one of the most important classes of organometallics with wide
prospects for practical use in various fields of chemistry, materials science, molecular …

Metallocenes represent archetypical organometallic compounds playing key roles in various
fields of fundamental and applied chemistry. Many of their unique properties arise from low …

The vibronic structures of the mass-selective threshold ionization spectra of ferrocene and
cobaltocene are simulated within the framework of the density functional theory. Using (C 5 …

Sandwich compounds have widespread applications in fields such as medicine, molecular
electronics, and pharmacology. This study is an attempt to design drug delivery by using a di …

A quantum-chemical study of the structures of symmetric 3d metal sandwich complexes with
benzene and cyclopentadienyl ligands has been carried out within the framework of the …

В рамках модели электронной плотности делокализованных связей проведено
квантово-химическое исследование строения симметричных сэндвичевых комплексов …

В рамках теории функционала плотности проведено моделирование вибронной
структуры в спектрах масс-селективной пороговой ионизации ферроцена и …