Jochen Autschbach

University at Buffalo, State University of New York — United States

Materials Science · Physical Sciences

84h-index25.7kcitations867works4.42yr avg
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Research Topics

X-ray Diffraction in Crystallography(280), Crystallization and Solubility Studies(278), Molecular spectroscopy and chirality(146), Advanced Chemical Physics Studies(129), Advanced NMR Techniques and Applications(129)

Publications867 total

Helicene‐Azulene Conjugates: Synthesis, Photophysical Properties and Proton‐Induced Chiroptical Switching
Chemistry - A European Journal·2026
Atomic Orbital Energy Matching vs Overlap in Actinide-Ligand Dative Bonding
Inorganic Chemistry·2025
Trans-Influence in Dinuclear Pt(III) Complexes: Electronic Structure, σ-Donation, and Pt–Pt Spin–Spin Coupling
Inorganic Chemistry·2025Open Access
Atomic Orbital Energy Matching vs. Overlap inActinide-Ligand Dative Bonding
2025
Impact of the Kohn-Sham delocalization error on organic $$\pi $$-conjugated systems
Structural Chemistry·2025Open Access
Trends in actinide electronic structure revealed from asymmetric, isostructural transuranic metallocenes
Communications Chemistry·2025· 1 citedOpen Access
4f-Orbital Occupancy in Tetravalent Cerium Halide Complexes from X-ray Spectroscopy and Theory
Inorganic Chemistry·2025· 4 cited
Atomic Orbital Energy Matching vs. Overlap inActinide-Ligand Dative Bonding
2025Open Access
Atomic Orbital Energy Matching vs. Overlap inActinide-Ligand Dative Bonding
2025· 1 citedOpen Access
Impact of the Kohn-Sham Delocalization Error on Organic Conjugated π Systems
2025Open Access
Analysis of NMR Spectroscopic Parameters
2025· 2 cited
Spin‐Orbit Effects in a Thallium Borohydride Stabilized by Coordination to Bis(diisopropylamino)Cyclopropenylidene (BAC)
Angewandte Chemie·2025· 1 cited
Spin‐Orbit Effects in a Thallium Borohydride Stabilized by Coordination to Bis(diisopropylamino)Cyclopropenylidene (BAC)
Angewandte Chemie International Edition·2025· 1 cited
N-Octylaminopropan-2-ol surfactant for crude-oil asphaltene dispersion: Integrated experimental and modeling insights
Fuel·2025
An Ytterbium-Pyrazine Square [(C <sub>5</sub> H <sub>4</sub> Me) <sub>2</sub> Yb <sup>III</sup> (pyz <sup>•–</sup> )] <sub>4</sub> Formed by Reversible Electron Transfer and Concomitant Self-Assembly
Inorganic Chemistry·2025· 2 cited
COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin–Orbit Couplings and Dynamics
The Journal of Physical Chemistry A·2025· 5 citedOpen Access
4f-Orbital Occupancy in Tetravalent Cerium Halide Complexes from X-ray Spectroscopy and Theory
2025· 1 citedOpen Access
Circularly Polarized Luminescence and Photoinduced Spin Polarization in Helicene-Bis-TEMPO Diradicals
Journal of the American Chemical Society·2025· 9 cited
Synthesis, Structure, and <sup>199</sup> Hg Chemical Shifts of Mercury 1,5,9‐trimesityldipyrromethene ( <sup>Mes</sup> DPM) Complexes
Chemistry - A European Journal·2025Open Access
Actinide 5f Occupations: The Case of PuO <sub>2</sub>
Inorganic Chemistry·2025· 7 cited
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Frequent Co-authors

Monika Srebro‐Hooper(12), Nicolas Vanthuyne(10), Jeanne Crassous(10), Tom Ziegler(6), Huw M. L. Davies(5), J. A. Gareth Williams(5), Christian Roussel(5), Francesco Aquilante(4), Liviu F. Chibotaru(4), Mickaël G. Delcey(4), Ignacio Fdez. Galván(4), Massimo Olivucci(4), Markus Reiher(4), Igor Schapiro(4), Liviu Ungur(4), Valera Veryazov(4), Jørn H. Hansen(4), Ludovic Favereau(4), Régis Réau(4), Rebecca K. Carlson(3)