[HTML][HTML] TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

SG Balasubramani, GP Chen, S Coriani… - The Journal of …, 2020 - pubs.aip.org
TURBOMOLE is a collaborative, multi-national software development project aiming to
provide highly efficient and stable computational tools for quantum chemical simulations of …

Graphdiyne‐based single‐atom catalysts with different coordination environments

X Fu, X Zhao, TB Lu, M Yuan… - Angewandte Chemie …, 2023 - Wiley Online Library
As a special carbon material, graphdiyne (GDY) features the superiorities of incomplete
charge transfer effect on the atomic level, tunable electronic structure and anchoring metal …

Accessing five oxidation states of uranium in a retained ligand framework

C Deng, J Liang, R Sun, Y Wang, PX Fu… - Nature …, 2023 - nature.com
Understanding and exploiting the redox properties of uranium is of great importance
because uranium has a wide range of possible oxidation states and holds great potential for …

The renaissance of non‐aqueous uranium chemistry

ST Liddle - Angewandte Chemie International Edition, 2015 - Wiley Online Library
Prior to the year 2000, non‐aqueous uranium chemistry mainly involved metallocene and
classical alkyl, amide, or alkoxide compounds as well as established carbene, imido, and …

Actinide-uranium single-atom catalysis for electrochemical nitrogen fixation

T Chen, T Liu, B Pang, T Ding, W Zhang, X Shen, D Wu… - Science Bulletin, 2022 - Elsevier
Actinide-based catalysts have been regarded as promising candidates for N 2 fixation owing
to their unique 5f orbital with flexible oxidation states. Herein, we report for the first time the …

Highly sensitive detection of ionizing radiations by a photoluminescent uranyl organic framework

J Xie, Y Wang, W Liu, X Yin, L Chen, Y Zou… - Angewandte …, 2017 - Wiley Online Library
Precise detection of low‐dose X‐and γ‐radiations remains a challenge and is particularly
important for studying biological effects under low‐dose ionizing radiation, safety control in …

The crystal chemistry of uranium carboxylates

T Loiseau, I Mihalcea, N Henry, C Volkringer - Coordination Chemistry …, 2014 - Elsevier
The field of uranium carboxylates has been studied for several decades and an important
library of coordination complexes and network solids is now well defined. It mainly concerns …

A Comprehensive Study Concerning the Synthesis, Structure, and Reactivity of Terminal Uranium Oxido, Sulfido, and Selenido Metallocenes

T Li, D Wang, Y Heng, G Hou, G Zi… - Journal of the …, 2023 - ACS Publications
Terminal uranium oxido, sulfido, and selenido metallocenes were synthesized, and their
reactivity was comprehensively studied. Heating of an equimolar mixture of [η5-1, 2, 4 …

Advances on the toxicity of uranium to different organisms

N Gao, Z Huang, H Liu, J Hou, X Liu - Chemosphere, 2019 - Elsevier
The extensive application of radioactive element uranium (U) and its compounds in the
nuclear industry has significantly increased the risk of exposure to the environment …

Nonaqueous Electrochemistry of Uranium Complexes: A Guide to Structure–Reactivity Tuning

J Riedhammer, DP Halter, K Meyer - Chemical Reviews, 2023 - ACS Publications
Uranium complexes can be stabilized in a wide range of oxidation states, ranging from UII to
UVI and a very recent example of a UI complex. This review provides a comprehensive …