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Chemistry

D-Index
66
Citations
21820
World Ranking
7163
National Ranking
49

Overview

Liviu Ungur is affiliated with the National University of Singapore in Singapore. Their research contributions primarily focus on materials science, with particular emphasis on materials chemistry, electronic, optical and magnetic materials, atomic and molecular physics and optics, spectroscopy, and biophysics.

The scientist's main research topics encompass crystallization and solubility studies, X-ray diffraction in crystallography, magnetism in coordination complexes, lanthanide and transition metal complexes, advanced NMR techniques and applications, electron spin resonance studies, and advanced chemical physics studies.

Among their notable recent publications are:

  • Modern quantum chemistry with [Open]Molcas (2020), published in The Journal of Chemical Physics
  • The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry (2023), published in Journal of Chemical Theory and Computation
  • Single-Molecule Toroic Design through Magnetic Exchange Coupling (2020), published in Matter
  • An Inconspicuous Six-Coordinate Neutral DyIII Single-Ion Magnet with Remarkable Magnetic Anisotropy and Stability (2020), published in Inorganic Chemistry
  • Magnetic Anisotropy in Divalent Lanthanide Compounds (2020), published in Angewandte Chemie International Edition

Ungur frequently collaborates with several researchers including Liviu F. Chibotaru, Maolin You, Yuan-Zhu Zhang, Guo-Zhang Huang, and Ming-Liang Tong.

The scientist regularly publishes in a variety of venues with a significant number of publications in The Cambridge Structural Database. Other common venues include Inorganic Chemistry, arXiv (Cornell University), Angewandte Chemie International Edition, and Chemistry - A European Journal.

Best Publications

  • Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.

    Francesco Aquilante;Jochen Autschbach;Rebecca K. Carlson;Liviu F. Chibotaru

  • A Stable Pentagonal Bipyramidal Dy(III) Single-Ion Magnet with a Record Magnetization Reversal Barrier over 1000 K.

    Jiang Liu;Yan-Cong Chen;Jun-Liang Liu;Veacheslav Vieru

  • OpenMolcas : From Source Code to Insight

    Ignacio Fernández Galván;Morgane Vacher;Ali Alavi;Celestino Angeli

  • Symmetry-Supported Magnetic Blocking at 20 K in Pentagonal Bipyramidal Dy(III) Single-Ion Magnets

    Yan-Cong Chen;Jun-Liang Liu;Liviu Ungur;Jiang Liu

  • Ab initio calculation of anisotropic magnetic properties of complexes. I. Unique definition of pseudospin Hamiltonians and their derivation.

    Liviu F Chibotaru;Liviu Ungur

  • The origin of nonmagnetic Kramers doublets in the ground state of dysprosium triangles: evidence for a toroidal magnetic moment.

    Liviu F. Chibotaru;Liviu Ungur;Alessandro Soncini

  • Strong axiality and Ising exchange interaction suppress zero-field tunneling of magnetization of an asymmetric Dy2 single-molecule magnet.

    Yun-Nan Guo;Gong-Feng Xu;Wolfgang Wernsdorfer;Liviu Ungur

  • Magnetic relaxation pathways in lanthanide single-molecule magnets

    Robin J. Blagg;Liviu Ungur;Floriana Tuna;James Speak

  • A polynuclear lanthanide single-molecule magnet with a record anisotropic barrier.

    Po-Heng Lin;Tara J. Burchell;Liviu Ungur;Liviu F. Chibotaru

  • Single-molecule magnet behavior for an antiferromagnetically superexchange-coupled dinuclear dysprosium(III) complex.

    Jerome Long;Fatemah Habib;Po-Heng Lin;Ilia Korobkov

  • Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh

    Jun-Liang Liu;Yan-Cong Chen;Yan-Zhen Zheng;Wei-Quan Lin

  • Structure, Magnetism, and Theoretical Study of a Mixed-Valence CoII3CoIII4 Heptanuclear Wheel: Lack of SMM Behavior despite Negative Magnetic Anisotropy

    Liviu F. Chibotaru;Liviu Ungur;Christophe Aronica;Hani Elmoll

  • Modern quantum chemistry with [Open]Molcas

    Francesco Aquilante;Jochen Autschbach;Alberto Baiardi;Stefano Battaglia

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

    Benjamin E. R. Snyder;Pieter Vanelderen;Pieter Vanelderen;Max L. Bols;Simon D. Hallaert

  • Fine-tuning the local symmetry to attain record blocking temperature and magnetic remanence in a single-ion magnet.

    Liviu Ungur;Jennifer J. Le Roy;Ilia Korobkov;Muralee Murugesu

  • Strategies toward High-Temperature Lanthanide-Based Single-Molecule Magnets.

    Liviu Ungur;Liviu F Chibotaru

  • Ab initio investigation of the non-collinear magnetic structure and the lowest magnetic excitations in dysprosium triangles

    Liviu Ungur;Willem Van den Heuvel;Liviu F. Chibotaru

  • Magnetic anisotropy in the excited states of low symmetry lanthanide complexes.

    Liviu Ungur;Liviu F. Chibotaru

  • Single-molecule toroics in Ising-type lanthanide molecular clusters

    Liviu Ungur;Shuang-Yan Lin;Jinkui Tang;Liviu F. Chibotaru

  • Ab Initio Crystal Field for Lanthanides.

    Liviu Ungur;Liviu Ungur;Liviu F. Chibotaru

  • Coexistence of Distinct Single‐Ion and Exchange‐Based Mechanisms for Blocking of Magnetization in a CoII2DyIII2 Single‐Molecule Magnet

    Kartik Chandra Mondal;Alexander Sundt;Yanhua Lan;George E. Kostakis

Frequent Co-Authors

Wolfgang Wernsdorfer
Wolfgang Wernsdorfer Karlsruhe Institute of Technology
Annie K. Powell
Annie K. Powell Karlsruhe Institute of Technology
Muralee Murugesu
Muralee Murugesu University of Ottawa
Ming-Liang Tong
Ming-Liang Tong Sun Yat-sen University
Jun-Liang Liu
Jun-Liang Liu Sun Yat-sen University
Yanhua Lan
Yanhua Lan Karlsruhe Institute of Technology
Ilia Korobkov
Ilia Korobkov Saudi Arabia Basic Industries (Saudi Arabia)
Jinkui Tang
Jinkui Tang Chinese Academy of Sciences
Xiao-Ming Chen
Xiao-Ming Chen Sun Yat-sen University

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