Pesquisa | BVS Doenças Infecciosas e Parasitárias

1.

The Role of Radical Bridges in Polynuclear Single-Molecule Magnets.

Nguyen, Giang Truong; Ungur, Liviu.

Chemistry ; 28(30): e202200227, 2022 May 25.

Artigo em Inglês | MEDLINE | ID: mdl-35419897

2.

Stable Triarylmethyl Radicals and Cobalt(II) Ions Based 1D/2D Coordination Polymers.

Hou, Xudong; Truong Nguyen, Giang; Xu, Tingting; Wei, Haipeng; Seng Herng, Tun; Huo, Guifei; Wang, Dingguan; Ding, Jun; Wu, Shaofei; Ungur, Liviu; Wu, Jishan.

Chemistry ; 28(31): e202200687, 2022 Jun 01.

Artigo em Inglês | MEDLINE | ID: mdl-35319794

3.

Mechanisms of Luminescence in Lanthanide Complexes: A Crucial Role of Metal-Ligand Covalency.

Ungur, Liviu; Szabo, Bernat; ALOthman, Zeid A; Al-Kahtani, Abdullah A S; Chibotaru, Liviu F.

Inorg Chem ; 61(16): 5972-5976, 2022 Apr 25.

Artigo em Inglês | MEDLINE | ID: mdl-35420038

4.

[Au^I(CN)₂]-Armed [Fe^III₂Fe^II₂] Square Complex Showing Unusual Spin-Crossover Behavior Due to a Symmetry-Breaking Phase Transition.

You, Maolin; Shao, Dong; Deng, Yi-Fei; Yang, Jiong; Yao, Nian-Tao; Meng, Yin-Shan; Ungur, Liviu; Zhang, Yuan-Zhu.

Inorg Chem ; 61(15): 5855-5860, 2022 Apr 18.

Artigo em Inglês | MEDLINE | ID: mdl-35377631

5.

The active site of low-temperature methane hydroxylation in iron-containing zeolites.

Snyder, Benjamin E R; Vanelderen, Pieter; Bols, Max L; Hallaert, Simon D; Böttger, Lars H; Ungur, Liviu; Pierloot, Kristine; Schoonheydt, Robert A; Sels, Bert F; Solomon, Edward I.

Nature ; 536(7616): 317-21, 2016 08 18.

Artigo em Inglês | MEDLINE | ID: mdl-27535535

6.

A Family of Lanthanide Hydroxo Carboxylates with 1D Polymeric Topology and Ln₄ Butterfly Core Exhibits Switchable Supramolecular Arrangement.

Grebenyuk, Dimitry; Zobel, Mirijam; Polentarutti, Maurizio; Ungur, Liviu; Kendin, Mikhail; Zakharov, Konstantin; Degtyarenko, Pavel; Vasiliev, Alexander; Tsymbarenko, Dmitry.

Inorg Chem ; 60(11): 8049-8061, 2021 Jun 07.

Artigo em Inglês | MEDLINE | ID: mdl-34003006

7.

Understanding the magnetization blocking mechanism in N₂^3--radical-bridged dilanthanide single-molecule magnets.

Nguyen, Giang T; Ungur, Liviu.

Phys Chem Chem Phys ; 23(17): 10303-10310, 2021 May 05.

Artigo em Inglês | MEDLINE | ID: mdl-33908512

8.

Exploring vibronic coupling in the benzene radical cation and anion with different levels of the GW approximation.

Wong, Zi Cheng; Ungur, Liviu.

Phys Chem Chem Phys ; 23(34): 19054-19070, 2021 Sep 14.

Artigo em Inglês | MEDLINE | ID: mdl-34612443

9.

Magnetization Dynamics on Isotope-Isomorphic Holmium Single-Molecule Magnets.

Liu, Yang; Ho, Le Tuan Anh; Huang, Guo-Zhang; Chen, Yan-Cong; Ungur, Liviu; Liu, Jun-Liang; Tong, Ming-Liang.

Angew Chem Int Ed Engl ; 60(52): 27282-27287, 2021 Dec 20.

Artigo em Inglês | MEDLINE | ID: mdl-34668633

10.

Highly Oxidized States of Phthalocyaninato Terbium(III) Multiple-Decker Complexes Showing Structural Deformations, Biradical Properties and Decreases in Magnetic Anisotropy.

Horii, Yoji; Damjanovic, Marko; Ajayakumar, M R; Katoh, Keiichi; Kitagawa, Yasutaka; Chibotaru, Liviu; Ungur, Liviu; Mas-Torrent, Marta; Wernsdorfer, Wolfgang; Breedlove, Brian K; Enders, Markus; Veciana, Jaume; Yamashita, Masahiro.

Chemistry ; 26(39): 8621-8630, 2020 Jul 14.

Artigo em Inglês | MEDLINE | ID: mdl-32428358

11.

Coexistence of Spin-Lattice Relaxation and Phonon-Bottleneck Processes in Gd^III -Phthlocyaninato Triple-Decker Complexes under Highly Diluted Conditions.

Horii, Yoji; Katoh, Keiichi; Miyazaki, Yuji; Damjanovic, Marko; Sato, Tetsu; Ungur, Liviu; Chibotaru, Liviu F; Breedlove, Brian K; Nakano, Motohiro; Wernsdorfer, Wolfgang; Yamashita, Masahiro.

Chemistry ; 26(36): 8076-8082, 2020 Jun 26.

Artigo em Inglês | MEDLINE | ID: mdl-32057140

12.

An Inconspicuous Six-Coordinate Neutral Dy^III Single-Ion Magnet with Remarkable Magnetic Anisotropy and Stability.

Li, Min; Wu, Haipeng; Xia, Zhengqiang; Ungur, Liviu; Liu, Dan; Chibotaru, Liviu F; Ke, Hongshan; Chen, Sanping; Gao, Shengli.

Inorg Chem ; 59(10): 7158-7166, 2020 May 18.

Artigo em Inglês | MEDLINE | ID: mdl-32363861

13.

Deriving the vibronic coupling constants of the cyclopentadienyl radical with density functional theory and G₀W₀.

Wong, Zi Cheng; Ungur, Liviu.

J Chem Phys ; 153(6): 064303, 2020 Aug 14.

Artigo em Inglês | MEDLINE | ID: mdl-35287446

14.

Modern quantum chemistry with [Open]Molcas.

Aquilante, Francesco; Autschbach, Jochen; Baiardi, Alberto; Battaglia, Stefano; Borin, Veniamin A; Chibotaru, Liviu F; Conti, Irene; De Vico, Luca; Delcey, Mickaël; Fdez Galván, Ignacio; Ferré, Nicolas; Freitag, Leon; Garavelli, Marco; Gong, Xuejun; Knecht, Stefan; Larsson, Ernst D; Lindh, Roland; Lundberg, Marcus; Malmqvist, Per Åke; Nenov, Artur; Norell, Jesper; Odelius, Michael; Olivucci, Massimo; Pedersen, Thomas B; Pedraza-González, Laura; Phung, Quan M; Pierloot, Kristine; Reiher, Markus; Schapiro, Igor; Segarra-Martí, Javier; Segatta, Francesco; Seijo, Luis; Sen, Saumik; Sergentu, Dumitru-Claudiu; Stein, Christopher J; Ungur, Liviu; Vacher, Morgane; Valentini, Alessio; Veryazov, Valera.

J Chem Phys ; 152(21): 214117, 2020 Jun 07.

Artigo em Inglês | MEDLINE | ID: mdl-32505150

15.

Magnetic Anisotropy in Divalent Lanthanide Compounds.

Zhang, Weibing; Muhtadi, Almas; Iwahara, Naoya; Ungur, Liviu; Chibotaru, Liviu F.

Angew Chem Int Ed Engl ; 59(31): 12720-12724, 2020 Jul 27.

Artigo em Inglês | MEDLINE | ID: mdl-32338815

16.

Exchange Interactions Switch Tunneling: A Comparative Experimental and Theoretical Study on Relaxation Dynamics by Targeted Metal Ion Replacement.

Tian, Haiquan; Ungur, Liviu; Zhao, Lang; Ding, Shuai; Tang, Jinkui; Chibotaru, Liviu F.

Chemistry ; 24(39): 9928-9939, 2018 Jul 11.

Artigo em Inglês | MEDLINE | ID: mdl-29697161

17.

Magnetization Blocking in Fe₂ ^III Dy₂ ^III Molecular Magnets: Ab Initio Calculations and EPR Spectroscopy.

Vieru, Veacheslav; Ungur, Liviu; Cemortan, Valeriu; Sukhanov, Andrey; Baniodeh, Amer; Anson, Christopher E; Powell, Annie K; Voronkova, Violeta; Chibotaru, Liviu F.

Chemistry ; 24(62): 16652-16661, 2018 Nov 07.

Artigo em Inglês | MEDLINE | ID: mdl-30107056

18.

Gold-Catalyzed Post-Ugi Ipso-Cyclization with Switchable Diastereoselectivity.

Nechaev, Anton A; Van Hecke, Kristof; Zaman, Manzoor; Kashtanov, Stepan; Ungur, Liviu; Pereshivko, Olga P; Peshkov, Vsevolod A; Van der Eycken, Erik V.

J Org Chem ; 83(15): 8170-8182, 2018 Aug 03.

Artigo em Inglês | MEDLINE | ID: mdl-29966417

19.

Pursuit of Record Breaking Energy Barriers: A Study of Magnetic Axiality in Diamide Ligated Dy^III Single-Molecule Magnets.

Harriman, Katie L M; Brosmer, Jonathan L; Ungur, Liviu; Diaconescu, Paula L; Murugesu, Muralee.

J Am Chem Soc ; 139(4): 1420-1423, 2017 02 01.

Artigo em Inglês | MEDLINE | ID: mdl-28075128

20.

Ab Initio Crystal Field for Lanthanides.

Ungur, Liviu; Chibotaru, Liviu F.

Chemistry ; 23(15): 3708-3718, 2017 Mar 13.

Artigo em Inglês | MEDLINE | ID: mdl-27983776

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