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Magnetic Anisotropy in a Cubane-like Ni4 Complex: An Ab Initio Perspective

Inorganic chemistry, 2021-05, Vol.60 (9), p.6306-6318

Maurice, Rémi

2021

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Universal Theoretical Approach to Extract Anisotropic Spin Hamiltonians

Journal of chemical theory and computation, 2009-11, Vol.5 (11), p.2977-2984

2009

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Experimental and computational evidence of halogen bonds involving astatine

Nature chemistry, 2018-04, Vol.10 (4), p.428-434

2018

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Theoretical Determination of the Zero-Field Splitting in Copper Acetate Monohydrate

Inorganic chemistry, 2011-07, Vol.50 (13), p.6229-6236

2011

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Magnetic Anisotropy in a Cubane-like Ni 4 Complex: An Ab Initio Perspective

Inorganic chemistry, 2021-05, Vol.60 (9), p.6306-6318

Maurice, Rémi

2021

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Role of the Metal in the Bonding and Properties of Bimetallic Complexes Involving Manganese, Iron, and Cobalt

Journal of the American Chemical Society, 2014-02, Vol.136 (5), p.1842-1855

2014

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Targeted radionuclide therapy with astatine-211: Oxidative dehalogenation of astatobenzoate conjugates

Scientific reports, 2017-05, Vol.7 (1), p.2579-9, Article 2579

2017

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Origin of the Magnetic Anisotropy in Heptacoordinate Ni II and Co II Complexes

Chemistry : a European journal, 2013-01, Vol.19 (3), p.950-956

2013

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Characterization of Uranyl Coordinated by Equatorial Oxygen: Oxo in UO3 versus Oxyl in UO3

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-07, Vol.125 (25), p.5544-5555

2021

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Computational determination of the dominant triplet population mechanism in photoexcited benzophenone

Physical chemistry chemical physics : PCCP, 2014-12, Vol.16 (46), p.25393-25403

2014

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Single-Ion Magnetic Anisotropy and Isotropic Magnetic Couplings in the Metal–Organic Framework Fe2(dobdc)

Inorganic chemistry, 2013-08, Vol.52 (16), p.9379-9389

2013

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Quantum chemical topology at the spin–orbit configuration interaction level: Application to astatine compounds

Journal of computational chemistry, 2020-09, Vol.41 (23), p.2055-2065

2020

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CO2 Adsorption in Fe2(dobdc): A Classical Force Field Parameterized from Quantum Mechanical Calculations

Journal of physical chemistry. C, 2014-06, Vol.118 (23), p.12230-12240

2014

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Effective bond orders from two-step spin-orbit coupling approaches: the I2, At2, IO(+), and AtO(+) case studies

The Journal of chemical physics, 2015-03, Vol.142 (9), p.094305-094305

2015

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211At-labeled agents for alpha-immunotherapy: On the in vivo stability of astatine-agent bonds

European journal of medicinal chemistry, 2016-06, Vol.116, p.156-164

2016

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An expanded halogen bonding scale using astatine

Chemical science (Cambridge), 2021-08, Vol.12 (32), p.1855-1861

2021

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Pourbaix Diagram of Astatine Revisited: Experimental Investigations

Inorganic chemistry, 2022-08, Vol.61 (34), p.13462-13470

2022

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Antisymmetric Exchange in a Real Copper Triangular Complex

Inorganic chemistry, 2022-08, Vol.61 (31), p.12138-12148

2022

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Electronic Structure and Magneto-Structural Correlations Study of Cu2UL Trinuclear Schiff Base Complexes: A 3d–5f–3d Case

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-02, Vol.127 (6), p.1475-1490

2023

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Giant Ising-Type Magnetic Anisotropy in Trigonal Bipyramidal Ni(II) Complexes: Experiment and Theory

Journal of the American Chemical Society, 2013-02, Vol.135 (8), p.3017-3026

2013

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A polynomial realization of the Hopf algebra of uniform block permutations

Discrete Mathematics and Theoretical Computer Science, 2012-01, Vol.DMTCS Proceedings vol. AR,... (Proceedings), p.191-202

Maurice, Rémi

2012

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Thorium and Uranium Carbide Cluster Cations in the Gas Phase: Similarities and Differences between Thorium and Uranium

Inorganic chemistry, 2013-10, Vol.52 (19), p.10968-10975

2013

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How to create giant Dzyaloshinskii–Moriya interactions? Analytical derivation and ab initio calculations on model dicopper(II) complexes

The Journal of chemical physics, 2021-04, Vol.154 (13), p.134301-134301

2021

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UV–Vis Absorption Spectroscopy of Polonium(IV) Chloride Complexes: An Electronic Structure Theory Study

Inorganic chemistry, 2019-05, Vol.58 (10), p.7036-7043

2019

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Stability of the Protactinium(V) Mono‐Oxo Cation Probed by First‐Principle Calculations

Chemistry : a European journal, 2024-03, Vol.30 (15), p.e202304068-n/a

2024

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Magnetic Anisotropy in a Cubane-like Ni4 Complex: An Ab Initio Perspective

Universal Theoretical Approach to Extract Anisotropic Spin Hamiltonians

Experimental and computational evidence of halogen bonds involving astatine

Theoretical Determination of the Zero-Field Splitting in Copper Acetate Monohydrate

Magnetic Anisotropy in a Cubane-like Ni 4 Complex: An Ab Initio Perspective

Role of the Metal in the Bonding and Properties of Bimetallic Complexes Involving Manganese, Iron, and Cobalt

Targeted radionuclide therapy with astatine-211: Oxidative dehalogenation of astatobenzoate conjugates

Origin of the Magnetic Anisotropy in Heptacoordinate Ni II and Co II Complexes

Characterization of Uranyl Coordinated by Equatorial Oxygen: Oxo in UO3 versus Oxyl in UO3

Computational determination of the dominant triplet population mechanism in photoexcited benzophenone

Single-Ion Magnetic Anisotropy and Isotropic Magnetic Couplings in the Metal–Organic Framework Fe2(dobdc)

Quantum chemical topology at the spin–orbit configuration interaction level: Application to astatine compounds

CO2 Adsorption in Fe2(dobdc): A Classical Force Field Parameterized from Quantum Mechanical Calculations

Effective bond orders from two-step spin-orbit coupling approaches: the I2, At2, IO(+), and AtO(+) case studies

211At-labeled agents for alpha-immunotherapy: On the in vivo stability of astatine-agent bonds

An expanded halogen bonding scale using astatine

Pourbaix Diagram of Astatine Revisited: Experimental Investigations

Antisymmetric Exchange in a Real Copper Triangular Complex

Electronic Structure and Magneto-Structural Correlations Study of Cu2UL Trinuclear Schiff Base Complexes: A 3d–5f–3d Case

Giant Ising-Type Magnetic Anisotropy in Trigonal Bipyramidal Ni(II) Complexes: Experiment and Theory

A polynomial realization of the Hopf algebra of uniform block permutations

Thorium and Uranium Carbide Cluster Cations in the Gas Phase: Similarities and Differences between Thorium and Uranium

How to create giant Dzyaloshinskii–Moriya interactions? Analytical derivation and ab initio calculations on model dicopper(II) complexes

UV–Vis Absorption Spectroscopy of Polonium(IV) Chloride Complexes: An Electronic Structure Theory Study

Stability of the Protactinium(V) Mono‐Oxo Cation Probed by First‐Principle Calculations

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