Publications


Arman Nejad, Martin A. Suhm
Concerted Pair Motion Due to Double Hydrogen Bonding: The Formic Acid Dimer Case
J. Indian Inst. Sci., accepted

doi.org/10.1007/s41745-019-00137-5



Thomas Auth, Konrad Koszinowski, Richard A. J. O'Hair
Dissecting Transmetalation Reactions at the Molecular Level: Phenyl Transfer in Metal Borate Complexes
Organometallics, accepted

doi.org/10.1021/acs.organomet.9b00521



Konrad Koszinowski, Thomas Auth
Modulation of Gas-​Phase Lithium Cation Basicities by Microsolvation
J. Am. Chem. Soc. Mass Spec. 30 (2019) 1857–1866

doi.org/10.1007/s13361-019-02312-5



René K. Rahrt, Thomas Auth, Maria P. Demireva, Peter B. Armentrout, Konrad Koszinowski
Benzhydrylpyridinium Ions: A New Class of Thermometer Ions for the Characterization of Electrospray-Ionization Mass Spectrometers
Anal. Chem. 91 (2019) 11703–11711

doi.org/10.1021/acs.analchem.9b02257



G. Barratt Park, Bastian C. Krüger, Dmitriy Borodin, Theofanis N. Kitsopoulos, Alec M. Wodtke
Fundamental mechanisms for molecular energy conversion and chemical reactions at surfaces
Reports on Progress in Physics 82 (2019) 096401

doi.org/10.1088/1361-6633/ab320e




Sönke Oswald, Martin A. Suhm
Soft experimental constraints for soft interactions: a spectroscopic benchmark data set for weak and strong hydrogen bonds
PCCP 21 (2019) 18799–18810

doi.org/10.1039/c9cp03651b



Christian P. Sindlinger, Paul Niklas Ruth
A Neutral “Aluminocene” Sandwich-Complex: η1 vs. η5-Coordination Modes of a Pentaarylborole with ECp* (E = Al, Ga)
Angew. Chem. Int. Ed. 58 (2019) 15051–15056

doi.org/10.1002/anie.201907749



Helena Keil, Matti Hellström, Claudia Stückl, Regine Herbst-Irmer, Jörg Behler, Dietmar Stalke
New insights in the catalytic activity of cobalt orthophosphate Co3(PO4)2 from charge density analysis
Chem. Eur. J., accepted

doi.org/10.1002/chem.201902303



Daniel Delony, Markus Kinauer, Martin Diefenbach, Serhiy Demeshko, Christian Würtele, Max C. Holthausen, Sven Schneider
A Terminal Iridium Oxo Complex with a Triplet Ground State
Angew. Chem. Int. Ed. 58 (2019) 10971–10974

doi.org/10.1002/anie.201905325



Robert Medel, Caroline Stelbrink, Martin A. Suhm
Vibrational Signatures of Chirality Recognition Between α‐Pinene and Alcohols for Theory Benchmarking
Angew. Chem. Int. Ed. 58 (2019) 8177–8181

doi.org/10.1002/anie.201901687



Katharina A. E. Meyer, Martin A. Suhm
Stretching of cis-formic acid: warm-up and cool-down as molecular work-out
Chem. Sci. 10 (2019) 6285 – 6294

DOI: 10.1039/C9SC01555H



Ricardo A. Mata, Martin A. Suhm
Benchmarking quantum chemical methods: are we heading in the right direction?
Angew. Chem. Int. Ed. 56 (2017) 11011–11018

doi.org/10.1002/anie.201611308