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List of works by Mihail Atanasov

A Modern First-Principles View on Ligand Field Theory Through the Eyes of Correlated Multireference Wavefunctions

A four-coordinate cobalt(II) single-ion magnet with coercivity and a very high energy barrier

scientific article

A linear cobalt(II) complex with maximal orbital angular momentum from a non-Aufbau ground state

scientific article published in Science

A theoretical analysis of chemical bonding, vibronic coupling, and magnetic anisotropy in linear iron(ii) complexes with single-molecule magnet behavior

article

A theoretical study of zero-field splitting in Fe(IV)S6 (S=1) and Fe(III)S6 (S=1/2) core complexes, [FeIV(Et2dtc)3−n(mnt)n](n−1)− and [FeIII(Et2dtc)3−n(mnt)n]n− (n=0, 1, 2, 3): The origin of the magnetic anisotropy

A well-defined terminal vanadium(III) oxo complex

scientific article published on 6 August 2014

Ab Initio Ligand-Field Theory Analysis and Covalency Trends in Actinide and Lanthanide Free Ions and Octahedral Complexes.

scientific article published on 14 July 2017

Challenges in Multireference Perturbation Theory for the Calculations of the g-Tensor of First-Row Transition-Metal Complexes

scientific article published on 23 August 2018

Chemistry and Quantum Mechanics in 2019: Give Us Insight and Numbers

scientific article published on 29 January 2019

Covalency and chemical bonding in transition metal complexes: An ab initio based ligand field perspective

Detailed ab initio first-principles study of the magnetic anisotropy in a family of trigonal pyramidal iron(II) pyrrolide complexes

scientific article

Dispersion Forces Drive the Formation of Uranium-Alkane Adducts

scientific article published on 13 January 2020

Electronic Structure and Magnetic Anisotropy of an Unsaturated Cyclopentadienyl Iron(I) Complex with 15 Valence Electrons

scientific article published on 30 May 2017

Electronic structures of octahedral Ni(II) complexes with "click" derived triazole ligands: a combined structural, magnetometric, spectroscopic, and theoretical study

scientific article published on 23 May 2013

Elektronische Struktur und magnetische Anisotropie eines ungesättigten Cyclopentadienyleisen(I)-Komplexes mit 15 Valenzelektronen

First principles approach to the electronic structure, magnetic anisotropy and spin relaxation in mononuclear 3d-transition metal single molecule magnets

article by Mihail Atanasov et al published April 2015 in Coordination Chemistry Reviews

First-Principles Study of Optical Absorption Energies, Ligand Field and Spin-Hamiltonian Parameters of Cr<sup>3+</sup> Ions in Emeralds

scientific article published in 2021

Homoleptic Two-Coordinate Silylamido Complexes of Chromium(I), Manganese(I), and Cobalt(I).

scientific article published on 18 December 2015

Improvement of Ab Initio Ligand Field Theory by Means of Multistate Perturbation Theory

scientific article published on 24 January 2020

Kβ mainline X-ray emission spectroscopy as an experimental probe of metal-ligand covalency

scientific article

Magnetic Circular Dichroism Evidence for an Unusual Electronic Structure of a Tetracarbene-Oxoiron(IV) Complex

scientific article published on 28 September 2016

Magnetic Transitions in Iron Porphyrin Halides by Inelastic Neutron Scattering and Ab Initio Studies of Zero-Field Splittings.

scientific article

Magnetic blocking in a linear iron(I) complex

scientific article published on 5 May 2013

Magneto-Structural Correlations in Pseudotetrahedral Forms of the [Co(SPh)4]2- Complex Probed by Magnetometry, MCD Spectroscopy, Advanced EPR Techniques, and ab Initio Electronic Structure Calculations

scientific article published on 22 February 2017

Magneto-Structural Correlations in a Series of Pseudotetrahedral [Co(II)(XR)4](2-) Single Molecule Magnets: An ab Initio Ligand Field Study

scientific article published on 7 October 2015

Molecular and Electronic Structures of Homoleptic Six-Coordinate Cobalt(I) Complexes of 2,2':6',2″-Terpyridine, 2,2'-Bipyridine, and 1,10-Phenanthroline. An Experimental and Computational Study

scientific article published on 4 December 2015

Mössbauer spectroscopy as a probe of magnetization dynamics in the linear iron(I) and iron(II) complexes [Fe(C(SiMe3)3)2](1-/0.).

scientific article published on 31 October 2013

Periodic Trends in Lanthanide Compounds through the Eyes of Multireference ab Initio Theory

scientific article

Slow magnetization dynamics in a series of two-coordinate iron(ii) complexes

article

Spin Isomers and Ligand Isomerization in a Three-Coordinate Cobalt(I) Carbonyl Complex

scholarly article by Malik H. Al-Afyouni et al published 12 August 2015 in Journal of the American Chemical Society

Spin-chemical effects on intramolecular photoinduced charge transfer reactions in bisphenanthroline copper(i)-viologen dyad assemblies

scientific article published on 12 May 2020

Spin-phonon couplings in transition metal complexes with slow magnetic relaxation.

scientific article

Strong Electronic and Magnetic Coupling in M4 (M = Ni, Cu) Clusters via Direct Orbital Interactions between Low-Coordinate Metal Centers

scientific article published on 28 October 2020

Synthesis, detailed characterization, and theoretical understanding of mononuclear chromium(III)-containing polyoxotungstates [Cr(III)(HX(V)W₇O₂₈)₂]¹³⁻ (X = P, As) with exceptionally large magnetic anisotropy

scientific article published on 19 August 2014

The [U2 F12 ]2- Anion of Sr[U2 F12 ].

scientific article published on 24 January 2018

The [U2 F12 ]2− Anion of Sr[U2 F12 ]

The ligand field of the azido ligand: insights into bonding parameters and magnetic anisotropy in a Co(II)-azido complex

scientific article published on 28 January 2015

Tuning Magnetic Anisotropy Through Ligand Substitution in Five-Coordinate Co(II) Complexes

scientific article published on 12 April 2017

Zero-Field Splitting in a Series of Structurally Related Mononuclear NiII–Bispidine Complexes

[OsF6 ]x- : Molecular Models for Spin-Orbit Entangled Phenomena

scientific article published on 26 June 2017

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