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Quantitative Assessment of B−B−B, B−Hb−B, and B−Ht Bonds: From BH3 to B12H122

Chemphyschem, 2019-08, Vol.20 (15), p.1967-1977

2019

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On the role of ligand-field states for the photophysical properties of ruthenium(II) polypyridyl complexes

Coordination chemistry reviews, 2015-01, Vol.282-283, p.87-99

2015

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Photoinduced Symmetry-Breaking Charge Separation: The Direction of the Charge Transfer

Angewandte Chemie (International ed.), 2011-08, Vol.50 (33), p.7596-7598

International ed. in English, 2011

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Complex-as-Ligand Strategy as a Tool for the Design of a Binuclear Nonsymmetrical Chromium(III) Assembly: Near-Infrared Double Emission and Intramolecular Energy Transfer

Inorganic chemistry, 2022-07, Vol.61 (29), p.11023-11031

2022

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Room-Temperature Bistability in Spin Crossover-Loaded Metal–Organic Frameworks

Chemistry of materials, 2023-01, Vol.35 (2), p.719-727

2023

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Computational study of the vibrational spectroscopy properties of boron-hydrogen compounds: Mg(B3H8)2, CB9H10− and CB11H12

International journal of hydrogen energy, 2017-08, Vol.42 (35), p.22496-22501

2017

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Exceptionally Stable Dimers and Trimers of Au25 Clusters Linked with a Bidentate Dithiol: Synthesis, Structure and Chirality Study

Angewandte Chemie International Edition, 2023-04, Vol.62 (16), p.e202215746-n/a

International ed. in English, 2023

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Dipole Moment and Polarizability of Tunable Intramolecular Charge Transfer States in Heterocyclic π‑Conjugated Molecular Dyads Determined by Computational and Stark Spectroscopic Study

Journal of physical chemistry. C, 2018-05, Vol.122 (17), p.9346-9355

2018

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Bimetallic Borohydrides in the System M(BH4)2–KBH4 (M = Mg, Mn): On the Structural Diversity

Journal of physical chemistry. C, 2012-05, Vol.116 (20), p.10829-10840

2012

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Ligand exchange reactions on the chiral Au38 cluster: CD modulation caused by the modification of the ligand shell composition

Nanoscale, 2020-01, Vol.12 (35), p.18160-18170

2020

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Towards accurate estimates of the spin-state energetics of spin-crossover complexes within density functional theory: a comparative case study of cobalt(II) complexes

Physical chemistry chemical physics : PCCP, 2013-03, Vol.15 (11), p.3752-3763

2013

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Investigation of the Influence of Solute−Solvent Interactions on the Vibrational Energy Relaxation Dynamics of Large Molecules in Liquids

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-07, Vol.111 (28), p.6135-6145

2007

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Correlating Boron–Hydrogen Stretching Frequencies with Boron–Hydrogen Bond Lengths in Closoboranes: An Approach Using DFT Calculations

Helvetica chimica acta, 2018-02, Vol.101 (2), p.n/a

2018

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Modified Density Functional Dispersion Correction for Inorganic Layered MFX Compounds (M = Ca, Sr, Ba, Pb and X = Cl, Br, I)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-02, Vol.124 (8), p.1619-1633

2020

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Ab Initio Molecular Dynamics Study of an Aqueous Solution of [Fe(bpy)3](Cl)2 in the Low-Spin and in the High-Spin States

The journal of physical chemistry letters, 2010-06, Vol.1 (12), p.1830-1835

2010

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Quantitative Spectra–Structure Relations for Borohydrides

Journal of physical chemistry. C, 2015-09, Vol.119 (38), p.21868-21874

2015

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Low-temperature lifetimes of metastable high-spin states in spin-crossover and in low-spin iron(II) compounds: The rule and exceptions to the rule

Coordination chemistry reviews, 2006-07, Vol.250 (13), p.1642-1652

2006

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Exploring the light-induced dynamics in solvated metallogrid complexes with femtosecond pulses across the electromagnetic spectrum

The Journal of chemical physics, 2020-06, Vol.152 (21), p.214301-214301

2020

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Intramolecular Charge‐Transfer Dynamics in Benzodifuran‐Based Triads

Helvetica chimica acta, 2021-09, Vol.104 (9), p.n/a

2021

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Environmental Control of the Magnetic Behavior of Transition Metal Complexes: Density Functional Theory Study of Zeolite Y Embedded Complexes [M(bpy) 3 ] 2+ @Y (M = Fe 2+ , Co 2+ )

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-09, Vol.126 (36), p.6221-6235

2022

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Accurate Spin-State Energetics of Transition Metal Complexes. 1. CCSD(T), CASPT2, and DFT Study of [M(NCH)6](2+) (M = Fe, Co)

Journal of chemical theory and computation, 2012-11, Vol.8 (11), p.4216-4231

2012

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Photophysics of the galvinoxyl free radical revisited

Physical chemistry chemical physics : PCCP, 2012-05, Vol.14 (18), p.6352-6358

2012

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A novel ruthenium(II) complex for two-photon absorption-based optical power limiting in the near-IR range

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (38), p.17304-17312

2011

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Vibrational spectra and structure of borohydrides

Journal of alloys and compounds, 2013-12, Vol.580, p.S122-S124

2013

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Unidirectional Photoisomerization of Styrylpyridine for Switching the Magnetic Behavior of an Iron(II) Complex: A MLCT Pathway in Crystalline Solids

Journal of physical chemistry. C, 2010-12, Vol.114 (49), p.21715-21722

2010

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Quantitative Assessment of B−B−B, B−Hb−B, and B−Ht Bonds: From BH3 to B12H122

On the role of ligand-field states for the photophysical properties of ruthenium(II) polypyridyl complexes

Photoinduced Symmetry-Breaking Charge Separation: The Direction of the Charge Transfer

Complex-as-Ligand Strategy as a Tool for the Design of a Binuclear Nonsymmetrical Chromium(III) Assembly: Near-Infrared Double Emission and Intramolecular Energy Transfer

Room-Temperature Bistability in Spin Crossover-Loaded Metal–Organic Frameworks

Computational study of the vibrational spectroscopy properties of boron-hydrogen compounds: Mg(B3H8)2, CB9H10− and CB11H12

Exceptionally Stable Dimers and Trimers of Au25 Clusters Linked with a Bidentate Dithiol: Synthesis, Structure and Chirality Study

Dipole Moment and Polarizability of Tunable Intramolecular Charge Transfer States in Heterocyclic π‑Conjugated Molecular Dyads Determined by Computational and Stark Spectroscopic Study

Bimetallic Borohydrides in the System M(BH4)2–KBH4 (M = Mg, Mn): On the Structural Diversity

Ligand exchange reactions on the chiral Au38 cluster: CD modulation caused by the modification of the ligand shell composition

Towards accurate estimates of the spin-state energetics of spin-crossover complexes within density functional theory: a comparative case study of cobalt(II) complexes

Investigation of the Influence of Solute−Solvent Interactions on the Vibrational Energy Relaxation Dynamics of Large Molecules in Liquids

Correlating Boron–Hydrogen Stretching Frequencies with Boron–Hydrogen Bond Lengths in Closoboranes: An Approach Using DFT Calculations

Modified Density Functional Dispersion Correction for Inorganic Layered MFX Compounds (M = Ca, Sr, Ba, Pb and X = Cl, Br, I)

Ab Initio Molecular Dynamics Study of an Aqueous Solution of [Fe(bpy)3](Cl)2 in the Low-Spin and in the High-Spin States

Quantitative Spectra–Structure Relations for Borohydrides

Low-temperature lifetimes of metastable high-spin states in spin-crossover and in low-spin iron(II) compounds: The rule and exceptions to the rule

Exploring the light-induced dynamics in solvated metallogrid complexes with femtosecond pulses across the electromagnetic spectrum

Intramolecular Charge‐Transfer Dynamics in Benzodifuran‐Based Triads

Environmental Control of the Magnetic Behavior of Transition Metal Complexes: Density Functional Theory Study of Zeolite Y Embedded Complexes [M(bpy) 3 ] 2+ @Y (M = Fe 2+ , Co 2+ )

Accurate Spin-State Energetics of Transition Metal Complexes. 1. CCSD(T), CASPT2, and DFT Study of [M(NCH)6](2+) (M = Fe, Co)

Photophysics of the galvinoxyl free radical revisited

A novel ruthenium(II) complex for two-photon absorption-based optical power limiting in the near-IR range

Vibrational spectra and structure of borohydrides

Unidirectional Photoisomerization of Styrylpyridine for Switching the Magnetic Behavior of an Iron(II) Complex: A MLCT Pathway in Crystalline Solids

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