Computational Chemistry

Latest News                 Twitter: @a_ehnbom

◊ 2020: A collaborative work together with the Liu group (link) with the title An Amber Obligate Active Site-Directed Ligand Evolution Technique for Phage Display got accepted for publication in Nature Communications (link)

◊ 2019: The second paper stemming from collaborations at RWTH Aachen was published. This study combines experiments and theory and investigates the binding of fullerenes to metallacycles. A record-sized system (over 4000 electrons) are studied using quantum mechanical tools with beautiful synergy in 13C NMR, IR, and binding potentials. The article is published in Chem. Eur. J. (link). Thanks to the Alexander von Humboldt Stiftung for funding which enabled collaboration with Prof. Dr. Carsten Bolm (link) and Prof Dr. Iris M. Oppel (link)!

◊ 2019: Our latest accepted article is published in J. Org. Chem. (link) and investigates stability of rotamers in amidine and amidinate ligand scaffolds and their spectroscopic properties. This work was done in collaboration with Dr. Michael Stollenz at Kennesaw State University (link)

◊ 2019: Our latest article was published in Organometallics (link) deciphering spectroscopic features of molecular wires (Pt end-capped polyynes).

◊ 2019: Andreas was selected as a CAS Scifinder Future Leader 2019 (news article #1, #2, and #3) visiting CAS & Scifinder headquarters in Ohio including travel to the ACS conference in San Diego. (International Award).

◊ 2019: Andreas received the U.S. Senator Phil Gramm Graduate Fellowship (news article #1, #2) from Texas A&M University. (University Level Award).

◊ 2019:  Our work investigating the origin of shielding and deshielding effects in NMR spectra of organic conjugated polyynes was published in Organic Letters (link).

◊ 2019: The trans/cis-equilibria of Pt-compounds were investigated and published in Polyhedron (link).


◊ 2018: Our JACS article was selected as front cover (#1) and as a JACS-spotlight (#2). We were also featured on the TAMU Science website in a news communiqué (#3). ''The Olympic triple jumping axel now has a molecular counterpart in cis-platinum complexes''.


(Updated: 03/2020)