Liviu Ungur

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Liviu ChibotaruKU LeuvenAdresse e-mail validée de kuleuven.be
Wolfgang WernsdorferHumboldt Professur, Physik, Karlsruhe Universität für Technologie, KIT; Institut Néel, CNRSAdresse e-mail validée de kit.edu
Annie K. PowellKarlsruhe Institute of TechnologyAdresse e-mail validée de kit.edu
Jun-Liang LiuSchool of Chemistry, Sun Yat-Sen UniversityAdresse e-mail validée de mail.sysu.edu.cn
Prof. Muralee MurugesuUniversity of OttawaAdresse e-mail validée de uottawa.ca
Yan-Cong ChenSun Yat-sen UniversityAdresse e-mail validée de mail.sysu.edu.cn
Veacheslav VieruMaastricht UniversityAdresse e-mail validée de maastrichtuniversity.nl
Po-Heng LinProfessor of Chemistry, National Chung Hsing UniversityAdresse e-mail validée de dragon.nchu.edu.tw
Jennifer J. Le RoyUniversity of OxfordAdresse e-mail validée de materials.ox.ac.uk
Richard WinpennyProfessor of Inorganic Chemistry, The University of ManchesterAdresse e-mail validée de manchester.ac.uk
Fu-Sheng GuoUniversity of Electronic Science and Technology of ChinaAdresse e-mail validée de uestc.edu.cn
Dominique LUNEAUUniversité Claude Bernard Lyon 1Adresse e-mail validée de univ-lyon1.fr
Willem Van den HeuvelSyddansk UniversitetAdresse e-mail validée de sdu.dk
Song GaoPeking University and South China University of TechnologyAdresse e-mail validée de pku.edu.cn
Guillaume PiletUniversité Claude Bernard Lyon 1Adresse e-mail validée de univ-lyon1.fr
Nicholas F ChiltonProfessor of Chemistry, Australian National University and The University of ManchesterAdresse e-mail validée de anu.edu.au
Richard A. LayfieldUniversity of SussexAdresse e-mail validée de sussex.ac.uk
Prinson P. SamuelChristian College ChengannurAdresse e-mail validée de christiancollege.ac.in
Herbert RoeskyUniversität GöttingenAdresse e-mail validée de gwdg.de
Naoya IwaharaChiba UniversityAdresse e-mail validée de chiba-u.jp

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Liviu Ungur

Department of Chemistry, National University of Singapore

Adresse e-mail validée de nus.edu.sg - Page d'accueil

molecular magnetism ab initio calculations...


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table F Aquilante, J Autschbach, RK Carlson, LF Chibotaru, MG Delcey, ... Journal of computational chemistry 37 (5), 506-541, 2016	1611	2016
A stable pentagonal bipyramidal Dy (III) single-ion magnet with a record magnetization reversal barrier over 1000 K J Liu, YC Chen, JL Liu, V Vieru, L Ungur, JH Jia, LF Chibotaru, Y Lan, ... Journal of the American Chemical Society 138 (16), 5441-5450, 2016	1027	2016
OpenMolcas: From source code to insight I Fdez. Galván, M Vacher, A Alavi, C Angeli, F Aquilante, J Autschbach, ... Journal of chemical theory and computation 15 (11), 5925-5964, 2019	866*	2019
Symmetry-supported magnetic blocking at 20 K in pentagonal bipyramidal Dy (III) single-ion magnets YC Chen, JL Liu, L Ungur, J Liu, QW Li, LF Wang, ZP Ni, LF Chibotaru, ... Journal of the American Chemical Society 138 (8), 2829-2837, 2016	835	2016
Ab initio calculation of anisotropic magnetic properties of complexes. I. Unique definition of pseudospin Hamiltonians and their derivation LF Chibotaru, L Ungur The Journal of chemical physics 137 (6), 2012	793	2012
Strong Axiality and Ising Exchange Interaction Suppress Zero-Field Tunneling of Magnetization of an Asymmetric Dy₂ Single-Molecule Magnet YN Guo, GF Xu, W Wernsdorfer, L Ungur, Y Guo, J Tang, HJ Zhang, ... Journal of the American Chemical Society 133 (31), 11948-11951, 2011	743	2011
Magnetic relaxation pathways in lanthanide single-molecule magnets RJ Blagg, L Ungur, F Tuna, J Speak, P Comar, D Collison, W Wernsdorfer, ... Nature chemistry 5 (8), 673-678, 2013	738	2013
The origin of nonmagnetic Kramers doublets in the ground state of dysprosium triangles: evidence for a toroidal magnetic moment L Chibotaru, L Ungur, A Soncini Angewandte Chemie-International Edition 47 (22), 4126-4129, 2008	738	2008
A polynuclear lanthanide single-molecule magnet with a record anisotropic barrier PH Lin, TJ Burchell, L Ungur, LF Chibotaru, W Wernsdorfer, M Murugesu Angew. Chem. Int. Ed 48 (10.1002), 2009	640	2009
Single-molecule magnet behavior for an antiferromagnetically superexchange-coupled dinuclear dysprosium (III) complex J Long, F Habib, PH Lin, I Korobkov, G Enright, L Ungur, W Wernsdorfer, ... Journal of the American Chemical Society 133 (14), 5319-5328, 2011	593	2011
Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D 5h to quasi-O h JL Liu, YC Chen, YZ Zheng, WQ Lin, L Ungur, W Wernsdorfer, ... Chemical Science 4 (8), 3310-3316, 2013	524	2013
Structure, Magnetism, and Theoretical Study of a Mixed-Valence Co^II₃Co^III₄ Heptanuclear Wheel: Lack of SMM Behavior despite Negative Magnetic Anisotropy LF Chibotaru, L Ungur, C Aronica, H Elmoll, G Pilet, D Luneau Journal of the American Chemical Society 130 (37), 12445-12455, 2008	503	2008
Fine‐tuning the local symmetry to attain record blocking temperature and magnetic remanence in a single‐ion magnet L Ungur, JJ Le Roy, I Korobkov, M Murugesu, LF Chibotaru Angewandte Chemie 126 (17), 4502-4506, 2014	442	2014
The active site of low-temperature methane hydroxylation in iron-containing zeolites BER Snyder, P Vanelderen, ML Bols, SD Hallaert, LH Böttger, L Ungur, ... Nature 536 (7616), 317-321, 2016	434	2016
Strategies toward high-temperature lanthanide-based single-molecule magnets L Ungur, LF Chibotaru Inorganic Chemistry 55 (20), 10043-10056, 2016	411	2016
Modern quantum chemistry with [Open] Molcas F Aquilante, J Autschbach, A Baiardi, S Battaglia, VA Borin, LF Chibotaru, ... The Journal of chemical physics 152 (21), 2020	409	2020
Magnetic anisotropy in the excited states of low symmetry lanthanide complexes L Ungur, LF Chibotaru Physical Chemistry Chemical Physics 13 (45), 20086-20090, 2011	390	2011
Ab initio investigation of the non-collinear magnetic structure and the lowest magnetic excitations in dysprosium triangles L Ungur, W Van den Heuvel, LF Chibotaru New Journal of Chemistry 33 (6), 1224-1230, 2009	386	2009
Single-molecule toroics in Ising-type lanthanide molecular clusters L Ungur, SY Lin, J Tang, LF Chibotaru Chemical Society Reviews 43 (20), 6894-6905, 2014	367	2014
Ab initio crystal field for lanthanides L Ungur, LF Chibotaru Chemistry–A European Journal 23 (15), 3708-3718, 2017	330	2017

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