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Liviu F. Chibotaru

200f

79H-index
574Paper Count
2.8WCitation Count
Published Papers 184
Publication Date
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Adding 161Dy-Mössbauer spectroscopy to a multitechnique investigation of magnetic transitions in a {CoIII3DyIII3} Single-Molecule Toroic
errNature Communications
IF15.7
err2026-04-28
err0
errOAAI
errYan Peng; Jonas Braun; Lena Scherthan; Hendrik Auerbach; Juliusz A. Wolny; Michael Schulze; E. Ercan Alp; Jiyong Zhao; Wenli Bi; Lorenzo Tesi; Christopher E. Anson; Jani O. Moilanen; Dennis. E. Brown; Liviu F. Chibotaru; Wolfgang Wernsdorfer; Mauro Perfetti; Roberta Sessoli; Volker Schünemann; Annie K. Powell
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Ab initio Description of Vibronic Emission Bands in Noncentrosymmetric Lanthanide Complexes (vol 16, pg 2309, 2025)
errJournal of Physical Chemistry Letters
IF4.6
err2026-02-01
err0
PREAI
errDergachev, Vsevolod D.; Chibotaru, Liviu F.; Varganov, Sergey A.
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Ab Initio Methodology To Describe the Static Mechanism of Electrodipolar Luminescence in Lanthanides
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2026-01-01
err0
PREAI
errDergachev, Vsevolod D.; Chibotaru, Liviu F.; Varganov, Sergey A.
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errSave
Using a Radical Straitjacket to Enforce an Ultrashort Dy-Dy Distance and Thus Enhance Dipolar Interactions in a DyIII 2 Dimer
errINORGANIC CHEMISTRY
IF4.7
err2025-12-01
err0
PREAI
errCarter, Anthony B.; Braun, Jonas; Bodenstein, Tilmann; Pfleger, Rouven F.; Schulze, Michael; Kriese, Thomas; Habermann, Sebastian F. M.; Liu, Dan; Al-Kahtani, Abdullah A.; Moreno-Pineda, Eufemio; Anson, Christopher E.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Fink, Karin; Powell, Annie K.
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Breakdown of broken-symmetry approach to exchange interaction
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-04-22
err0
PREAI
errIwahara, Naoya; Huang, Zhishuo; Mansikkamaki, Akseli; Chibotaru, Liviu F.
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Ab Initio Description of Vibronic Emission Bands in Noncentrosymmetric Lanthanide Complexes
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2025-02-24
err0
PREAI
errDergachev, Vsevolod D.; Chibotaru, Liviu F.
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Unveiling the Werner-Type Cluster Chemistry of Heterometallic 4f/Post-Transition Metals: A {Dy3Bi8} Complex Exhibiting Quantum Tunneling Steps in the Hysteresis Loops and its 1-D Congener
errINORGANIC CHEMISTRY
IF4.7
err2025-01-17
err1
errOAAI
errBaka, Konstantina H.; Liu, Dan; Paul, Sagar; Wernsdorfer, Wolfgang; Tang, Jinkui; Chibotaru, Liviu F.; Stamatatos, Theocharis C.
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Building Molecular Nanomagnets by Encapsulating Lanthanide Ions in Boron Nitride Nanotubes: Ab Initio Investigation
errINORGANIC CHEMISTRY
IF4.7
err2024-02-12
err1
PREAI
errLiu, Dan; Guo, Xuefeng; Zhang, Xiaoyong; Al-Kahtani, Abdullah A.; Chibotaru, Liviu F.
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Vibronic order and emergent magnetism in cubic d1 double perovskites
errPHYSICAL REVIEW B
IF3.7
err2023-06-16
err9
errOAAI
errIwahara, Naoya; Chibotaru, Liviu F.
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errSave
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-05-22
err127
errOAAI
errManni, Giovanni Li; Galvan, Ignacio Fdez.; Alavi, Ali; Aleotti, Flavia; Aquilante, Francesco; Autschbach, Jochen; Avagliano, Davide; Baiardi, Alberto; Bao, Jie J.; Battaglia, Stefano; Birnoschi, Letitia; Blanco-Gonzalez, Alejandro; Bokarev, Sergey I.; Broer, Ria; Cacciari, Roberto; Calio, Paul B.; Carlson, Rebecca K.; Couto, Rafael Carvalho; Cerdan, Luis; Chibotaru, Liviu F.; Chilton, Nicholas F.; Church, Jonathan Richard; Conti, Irene; Coriani, Sonia; Cuellar-Zuquin, Juliana; Daoud, Razan E.; Dattani, Nike; Decleva, Piero; de Graaf, Coen; Delcey, Mickael G.; De Vico, Luca; Dobrautz, Werner; Dong, Sijia S.; Feng, Rulin; Ferre, Nicolas; Filatov (Gulak), Michael; Gagliardi, Laura; Garavelli, Marco; Gonzalez, Leticia; Guan, Yafu; Guo, Meiyuan; Hennefarth, Matthew R.; Hermes, Matthew R.; Hoyer, Chad E.; Huix-Rotllant, Miquel; Jaiswal, Vishal Kumar; Kaiser, Andy; Kaliakin, Danil S.; Khamesian, Marjan; King, Daniel S.; Kochetov, Vladislav; Krosnicki, Marek; Kumaar, Arpit Arun; Larsson, Ernst D.; Lehtola, Susi; Lepetit, Marie-Bernadette; Lischka, Hans; Rios, Pablo Lopez; Lundberg, Marcus; Ma, Dongxia; Mai, Sebastian; Marquetand, Philipp; Merritt, Isabella C. D.; Montorsi, Francesco; Morchen, Maximilian; Nenov, Artur; Vu Ha Anh Nguyen; Nishimoto, Yoshio; Oakley, Meagan S.; Olivucci, Massimo; Oppel, Markus; Padula, Daniele; Pandharkar, Riddhish; Quan Manh Phung; Plasser, Felix; Raggi, Gerardo; Rebolini, Elisa; Reiher, Markus; Rivalta, Ivan; Roca-Sanjuan, Daniel; Romig, Thies; Safari, Arta Anushirwan; Sanchez-Mansilla, Aitor; Sand, Andrew M.; Schapiro, Igor; Scott, Thais R.; Segarra-Marti, Javier; Segatta, Francesco; Sergentu, Dumitru-Claudiu; Sharma, Prachi; Shepard, Ron; Shu, Yinan; Staab, Jakob K.; Straatsma, Tjerk P.; Sorensen, Lasse Kragh; Tenorio, Bruno Nunes Cabral; Truhlar, Donald G.; Ungur, Liviu; Vacher, Morgane; Veryazov, Valera; Voss, Torben Arne; Weser, Oskar; Wu, Dihua; Yang, Xuchun; Yarkony, David; Zhou, Chen; Zobel, J. Patrick; Lindh, Roland
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Single-ion magnet behavior of Ln3+ encapsulated in carbon nanotubes: an ab initio insight
errDALTON TRANSACTIONS
IF3.3
err2023-01-01
err2
PREAI
errLiu, Dan; Guo, Xuefeng; Zhang, Xiaoyong; Al-Kahtani, Abdullah A.; Chibotaru, Liviu F.
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A High-Performance Single-Molecule Magnet Utilizing Dianionic Aminoborolide Ligands
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2022-09-26
err66
PREAI
errVanjak, James C.; Wilkins, Branford O.; Vieru, Veacheslav; Bhuvanesh, Nattamai S.; Reibenspies, Joseph H.; Martin, Caleb D.; Chibotaru, Liviu F.; Nippe, Michael
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Mechanisms of Luminescence in Lanthanide Complexes: A Crucial Role of Metal-Ligand Covalency
errINORGANIC CHEMISTRY
IF4.7
err2022-04-14
err16
PREAI
errUngur, Liviu; Szabo, Bernat; ALOthman, Zeid A.; Al-Kahtani, Abdullah A. S.; Chibotaru, Liviu F.
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Multipolar exchange interaction and complex order in insulating lanthanides
errPHYSICAL REVIEW B
IF3.7
err2022-04-01
err3
errOAAI
errIwahara, Naoya; Huang, Zhishuo; Neefjes, Ivo; Chibotaru, Liviu F.
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errSave
Toroidal versus centripetal arrangement of the magnetic moment in a Dy4 tetrahedron
errCHEMICAL COMMUNICATIONS
IF4.2
err2022-01-01
err18
PREAI
errYang, Qianqian; Ungur, Liviu; Chibotaru, Liviu F.; Tang, Jinkui
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Synchronous Temperature and Magnetic Field Dual-Sensing by Luminescence in a Dysprosium Single-Molecule Magnet
errADVANCED OPTICAL MATERIALS
IF7.2
err2021-10-18
err29
PREAI
errFerreira, Rute A. S.; Mamontova, Ekaterina; Botas, Alexandre M. P.; Shestakov, Mikhail; Vanacken, Johan; Moshchalkov, Victor; Guari, Yannick; Chibotaru, Liviu F.; Luneau, Dominique; Andre, Paulo S.; Larionova, Joulia; Long, Jerome; Carlos, Luis D.
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Isolation of a triplet benzene dianion
errNATURE CHEMISTRY
IF20.2
err2021-07-19
err19
PREAI
errGould, Colin A.; Marbey, Jonathan; Vieru, Veacheslav; Marchiori, David A.; Britt, R. David; Chibotaru, Liviu F.; Hill, Stephen; Long, Jeffrey R.
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Jahn-Teller effect in the cubic fullerides A3C60
errPHYSICAL REVIEW B
IF3.7
err2021-04-08
err5
errOAAI
errHuang, Zhishuo; Albaqami, Munirah D.; Sato, Tohru; Iwahara, Naoya; Chibotaru, Liviu F.
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errSave
Field-induced oscillation of magnetization blocking barrier in a holmium metallacrown single-molecule magnet
errCHEM
IF19.6
err2021-04-01
err13
errOAAI
errWu, Si-Guo; Ruan, Ze-Yu; Huang, Guo-Zhang; Zheng, Jie-Yu; Vieru, Veacheslav; Taran, Gheorghe; Wang, Jin; Chen, Yan-Cong; Liu, Jun-Liang; Le Tuan Anh Ho; Chibotaru, Liviu F.; Wernsdorfer, Wolfgang; Chen, Xiao-Ming; Tong, Ming-Liang
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Towards understanding the magnetism of Os(iv) complexes: an ab initio insight
errDALTON TRANSACTIONS
IF3.3
err2021-01-01
err3
PREAI
errUngur, Liviu; Pallitsch, Katharina; AlOthman, Zeid A.; Al-Kahtani, Abdullah A. S.; Arion, Vladimir B.; Chibotaru, Liviu F.
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Research Directions

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Co-authors
Cooperation Journals
D
Donald G. Truhlar
H-index: 187 · Papers: 1.9K
R
Robert H. Crabtree
H-index: 165 · Papers: 1.2K
J
Jeffrey R. Long
H-index: 148 · Papers: 1.1K
W
Wolfgang Wernsdorfer
H-index: 135 · Papers: 1.6K
陈
陈小明 (Xiao‐Ming Chen)
H-index: 124 · Papers: 1.5K
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