Publications 2022

Showing entries 41 - 60 out of 86
Resolving Femtosecond Solvent Reorganization Dynamics in an Iron Complex by Nonadiabatic Dynamics Simulations. / Zederkof, Diana Bregenholt; Moller, Klaus B.; Nielsen, Martin M. et al.
In: Journal of the American Chemical Society, Vol. 144, No. 28, 20.07.2022, p. 12861-12873.

Publications: Contribution to journal › Article › Peer Reviewed

Modeling magnetic multipolar phases in density functional theory. / Fiore Mosca, Dario ; Pourovskii, Leonid; Franchini, Cesare.
In: Physical Review B, Vol. 106, No. 3, 035127, 18.07.2022.

Publications: Contribution to journal › Article › Peer Reviewed

Environmental life cycle assessment of nano-cellulose and biogas production from manure. / Krexner, Theresa; Bauer, Alexander; Zollitsch, Werner et al.
In: Journal of Environmental Management, Vol. 314, 115093, 15.07.2022.

Publications: Contribution to journal › Article › Peer Reviewed

Direct Stereodivergent Olefination of Carbonyl Compounds with Sulfur Ylides. / Merad, Jeremy; Grant, Phillip S.; Stopka, Tobias et al.
In: Journal of the American Chemical Society, Vol. 144, No. 27, 13.07.2022, p. 12536-12543.

Publications: Contribution to journal › Article › Peer Reviewed

Beam-driven dynamics of aluminium dopants in graphene. / Zagler, Georg; Stecher, Maximilian; Trentino, Alberto et al.
In: 2D Materials, Vol. 9, No. 3, 035009, 01.07.2022.

Publications: Contribution to journal › Article › Peer Reviewed

Nanopolymers for magnetic applications: how to choose the architecture? / Mostarac, Deniz (Corresponding author); Xiong, Yan; Gang, Oleg et al.
In: Nanoscale, Vol. 14, No. 31, 16.06.2022, p. 11139-11151.

Publications: Contribution to journal › Article › Peer Reviewed

An approach for the scalable production of macroporous polymer beads. / Ferrer, Juan (Corresponding author); Jiang, Qixiang; Menner, Angelika et al.
In: Journal of Colloid and Interface Science, Vol. 616, 15.06.2022, p. 834-845.

Publications: Contribution to journal › Article › Peer Reviewed

Green hydrothermal synthesis yields perylenebisimide-SiO2 hybrid materials with solution-like fluorescence and photoredox activity. / Moura, Hipassia M.; Peterlik, Herwig; Unterlass, Miriam M. (Corresponding author).
In: Journal of Materials Chemistry A, Vol. 10, No. 24, 13.06.2022, p. 12817-12831 .

Publications: Contribution to journal › Article › Peer Reviewed

Three-dimensional ab initio description of vibration-assisted electron knock-on displacements in graphene. / Chirita, Alexandru; Markevich, Alexander; Tripathi, Mukesh et al.
In: Physical Review B, Vol. 105, No. 23, 235419, 13.06.2022.

Publications: Contribution to journal › Article › Peer Reviewed

Theoretical chemistry and quantum dynamics at interfaces: Celebrating the career of Peter Saalfrank on the occasion of his 60th birthday. / Bande, Annika (Corresponding author); Gonzalez, Leticia; Klamroth, Tillmann et al.
In: Chemical Physics, Vol. 558, 111509, 01.06.2022.

Publications: Contribution to journal › Editorial › Peer Reviewed

A roadmap for universal high-mass matter-wave interferometry. / Kiałka, Filip; Fein, Yaakov Y.; Pedalino, Sebastian et al.
In: AVS Quantum Science, Vol. 4, No. 2, 020502, 06.2022.

Publications: Contribution to journal › Article › Peer Reviewed

Machine learning for exploring small polaron configurational space. / Birschitzky, Viktor C.; Ellinger, Florian; Diebold, Ulrike et al.
In: npj Computational Materials, Vol. 8, 125, 06.2022.

Publications: Contribution to journal › Article › Peer Reviewed

Sampling effects in quantum mechanical/molecular mechanics trajectory surface hopping non-adiabatic dynamics. / Avagliano, Davide; Lorini, Emilio; Gonzalez, Leticia (Corresponding author).
In: Philosophical Transactions of the Royal Society of London. Mathematical, Physical and Engineering Sciences, Vol. 380, No. 2223, 20200381, 16.05.2022.

Publications: Contribution to journal › Article › Peer Reviewed

Hierarchical carbon fibre composites incorporating high loadings of carbon nanotubes. / Yousefi, Neptun; Fisher, Sandra J.; Burgstaller, Christoph et al.
In: Composites Science and Technology, Vol. 222, 109369, 03.05.2022.

Publications: Contribution to journal › Article › Peer Reviewed

Structural transitions and magnetic response of supramolecular magnetic polymerlike structures with bidisperse monomers. / Novak, Ekaterina V. (Corresponding author); Pyanzina, Elena S.; Gupalo, Marina A. et al.
In: Physical Review E, Vol. 105, No. 5, 054601, 03.05.2022.

Publications: Contribution to journal › Article › Peer Reviewed

Polymerised high internal phase emulsion micromixers for continuous emulsification. / Barkan-Öztürk, Hande; Menner, Angelika; Bismarck, Alexander (Corresponding author).
In: Chemical Engineering Science, Vol. 252, 117296, 28.04.2022.

Publications: Contribution to journal › Article › Peer Reviewed

Electronic structure of confined carbyne from joint wavelength-dependent resonant Raman spectroscopy and density functional theory investigations. / Martinati, Miles; Wenseleers, Wim (Corresponding author); Shi, Lei et al.
In: Carbon, Vol. 189, 15.04.2022, p. 276-283.

Publications: Contribution to journal › Article › Peer Reviewed

Tip-Enhanced Stokes-Anti-Stokes Scattering from Carbyne. / Tschannen, Cla Duri (Corresponding author); Frimmer, Martin; Vasconcelos, Thiago L. et al.
In: Nano Letters, Vol. 22, No. 8, 13.04.2022, p. 3260-3265.

Publications: Contribution to journal › Article › Peer Reviewed

Carbon nanotube enhanced carbon Fibre-Poly(ether ether ketone) interfaces in model hierarchical composites. / Lamoriniere, Steven; Jones, Mitchell P.; Ho, Kingsley et al.
In: Composites Science and Technology, Vol. 221, 109327, 12.04.2022.

Publications: Contribution to journal › Article › Peer Reviewed

Validity of Effective Potentials in Crowded Solutions of Linear and Ring Polymers with Reversible Bonds. / Paciolla, Mariarita; Likos, Christos N.; Moreno, Angel J. (Corresponding author).
In: Macromolecules, Vol. 55, No. 7, 12.04.2022, p. 2659-2674.

Publications: Contribution to journal › Article › Peer Reviewed

Showing entries 41 - 60 out of 86