Magnetic Anisotropy in “Scorpionate” First-Row Transition-Metal Complexes: A Theoretical Investigation
出版年份 2015 全文链接
标题
Magnetic Anisotropy in “Scorpionate” First-Row Transition-Metal Complexes: A Theoretical Investigation
作者
关键词
-
出版物
CHEMISTRY-A EUROPEAN JOURNAL
Volume 21, Issue 9, Pages 3716-3726
出版商
Wiley
发表日期
2015-01-16
DOI
10.1002/chem.201405480
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Single-molecule magnet engineering: building-block approaches
- (2014) Kasper S. Pedersen et al. CHEMICAL COMMUNICATIONS
- Magnetic Anisotropy of Mononuclear NiIIComplexes: On the Importance of Structural Diversity and the Structural Distortions
- (2014) Saurabh Kumar Singh et al. CHEMISTRY-A EUROPEAN JOURNAL
- Probing the Origin of Magnetic Anisotropy in a Dinuclear {MnIIICuII} Single-Molecule Magnet: The Role of Exchange Anisotropy
- (2014) Saurabh Kumar Singh et al. CHEMISTRY-A EUROPEAN JOURNAL
- Electronic structure and magnetic properties of lanthanide 3+ cations
- (2013) Helena Kurzen et al. CHEMICAL PHYSICS LETTERS
- Calculation of the 4f1→4f05d1 transitions in Ce3+-doped systems by Ligand Field Density Functional Theory
- (2013) Harry Ramanantoanina et al. CHEMICAL PHYSICS LETTERS
- Mononuclear Single-Molecule Magnets: Tailoring the Magnetic Anisotropy of First-Row Transition-Metal Complexes
- (2013) Silvia Gomez-Coca et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Ligand field density functional theory calculation of the 4f2 → 4f15d1 transitions in the quantum cutter Cs2KYF6:Pr3+
- (2013) Harry Ramanantoanina et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Theoretical study of the magnetic anisotropy and magnetic tunnelling in mononuclear Ni(ii) complexes with potential molecular magnet behavior
- (2013) Maja Gruden-Pavlović et al. Chemical Science
- Is a radical bridge a route to strong exchange interactions in lanthanide complexes? A computational examination
- (2012) Thayalan Rajeshkumar et al. CHEMICAL COMMUNICATIONS
- Simple Ligand-Field Theory of d4 and d6 Transition Metal Complexes with a C3 Symmetry Axis
- (2012) Bruce R. McGarvey et al. INORGANIC CHEMISTRY
- Ab initio calculation of anisotropic magnetic properties of complexes. I. Unique definition of pseudospin Hamiltonians and their derivation
- (2012) L. F. Chibotaru et al. JOURNAL OF CHEMICAL PHYSICS
- How Do Heavier Halide Ligands Affect the Signs and Magnitudes of the Zero-Field Splittings in Halogenonickel(II) Scorpionate Complexes? A Theoretical Investigation Coupled to Ligand-Field Analysis
- (2012) Shengfa Ye et al. Journal of Chemical Theory and Computation
- A theoretical analysis of chemical bonding, vibronic coupling, and magnetic anisotropy in linear iron(ii) complexes with single-molecule magnet behavior
- (2012) Mihail Atanasov et al. Chemical Science
- Electronic fine structure calculation of [Gd(DOTA)(H2O)]– using LF-DFT: The zero field splitting
- (2011) Florian Senn et al. COMPTES RENDUS CHIMIE
- Density functional studies on dinuclear {NiIIGdIII} and trinuclear {NiIIGdIIINiII} complexes: magnetic exchange and magneto-structural maps
- (2011) Saurabh Kumar Singh et al. DALTON TRANSACTIONS
- Detailed Ab Initio First-Principles Study of the Magnetic Anisotropy in a Family of Trigonal Pyramidal Iron(II) Pyrrolide Complexes
- (2011) Mihail Atanasov et al. INORGANIC CHEMISTRY
- Spectrochemical Series and the Dependence of Racah and 10DqParameters on the Metal−Ligand Distance: Microscopic Origin
- (2011) A. Trueba et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Computational analysis of tris(1,2-ethanediamine) cobalt(III) complex ion: calculation of the 59Co shielding tensor using LF-DFT
- (2011) Florian Senn et al. MONATSHEFTE FUR CHEMIE
- Theoretical magnetochemistry of dinuclear manganese complexes: broken symmetry density functional theory investigation on the influence of bridging motifs on structure and magnetism
- (2010) Dimitrios A. Pantazis et al. DALTON TRANSACTIONS
- What is not required to make a single molecule magnet
- (2010) Frank Neese et al. FARADAY DISCUSSIONS
- Role of Orbital Degeneracy in the Single Molecule Magnet Behavior of a Mononuclear High-Spin Fe(II) Complex
- (2010) A. V. Palii et al. INORGANIC CHEMISTRY
- Calculation of 59Co shielding tensor using LF–DFT
- (2010) F. Senn et al. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
- Intrinsic Distortion Path in the analysis of the Jahn–Teller effect
- (2010) Matija Zlatar et al. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
- DFT study of the Jahn–Teller effect in Cu(II) chelate complexes
- (2010) Maja Gruden-Pavlović et al. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
- Systematic Theoretical Study of the Zero-Field Splitting in Coordination Complexes of Mn(III). Density Functional Theory versus Multireference Wave Function Approaches
- (2010) Carole Duboc et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Cobalt(II) “Scorpionate” Complexes as Models for Cobalt-Substituted Zinc Enzymes: Electronic Structure Investigation by High-Frequency and -Field Electron Paramagnetic Resonance Spectroscopy
- (2010) J. Krzystek et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Slow Magnetic Relaxation in a High-Spin Iron(II) Complex
- (2010) Danna E. Freedman et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Slow Magnetic Relaxation in a Family of Trigonal Pyramidal Iron(II) Pyrrolide Complexes
- (2010) W. Hill Harman et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- High magnetic anisotropy ofFe+ions inKTaO3andSrCl2
- (2010) A. Trueba et al. PHYSICAL REVIEW B
- How to Build Molecules with Large Magnetic Anisotropy
- (2009) Jordi Cirera et al. CHEMISTRY-A EUROPEAN JOURNAL
- Density functional studies on the exchange interaction of a dinuclear Gd(iii)–Cu(ii) complex: method assessment, magnetic coupling mechanism and magneto-structural correlations
- (2009) Gopalan Rajaraman et al. DALTON TRANSACTIONS
- Magnetic Properties and Vapochromic Reversible Guest-Induced Transformation in a Bispyrazolato Copper(II) Polymer: an Experimental and Dispersion-Corrected Density Functional Theory Study
- (2009) Alessandro Bencini et al. INORGANIC CHEMISTRY
- Magnetic and Spectroscopic Properties of Mixed Valence Manganese(III,IV) Dimers: A Systematic Study Using Broken Symmetry Density Functional Theory
- (2009) Maylis Orio et al. INORGANIC CHEMISTRY
- Universal Theoretical Approach to Extract Anisotropic Spin Hamiltonians
- (2009) Rémi Maurice et al. Journal of Chemical Theory and Computation
- The giant magnetic anisotropy energy of Fe+ ions in SrCl2
- (2009) Pablo Garcia-Fernandez et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Density functional theory study of the Jahn-Teller effect in cobaltocene
- (2009) Matija Zlatar et al. PURE AND APPLIED CHEMISTRY
- Combined Ligand Field and Density Functional Theory Analysis of the Magnetic Anisotropy in Oligonuclear Complexes Based on FeIII−CN−MIIExchange-Coupled Pairs
- (2008) Mihail Atanasov et al. INORGANIC CHEMISTRY
- Unique Definition of the Zeeman-SplittinggTensor of a Kramers Doublet
- (2008) L. F. Chibotaru et al. PHYSICAL REVIEW LETTERS
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationPublish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn More