Publications
2021
P. Löwe, M. Feldt, M. B. Röthel, L. F. B. Wilm and F. Dielmann, Thiophosphonium–Alkyne Cycloaddition Reactions: A Heavy Congener of the Carbonyl–Alkyne Metathesis, Inorg. Chem. DOI: 10.1021/acs.inorgchem.1c02076, (2021).
J. Keuter, A. Hepp, C. G. Daniliuc, M. Feldt and F. Lips, Cycloadditions with a Stable Charge-Separated Cyclobutadiene-type Amido-Substituted Silicon Ring Compound, Angew. Chem. Int. Ed. DOI: 10.1002/anie.202104341, (2021).2020
B. J. Guddorf, M. Feldt, A. Hepp, C. G. Daniliuc and F. Lips, Reactivity of an NHC-Coordinated Trisilacyclopropylidene with Transition Metal Carbonyl Compounds, Organometallics DOI: 10.1021/acs.organomet.0c00607 (2020)
M. Feldt and A. Brown, Assessment of local coupled cluster methods for excited states of BODIPY/Aza‐BODIPY families, J. Comput. Chem. DOI: 10.1002/jcc.26442 (2020)
M. Feldt, C. Martin-Fernandez and J. N. Harvey, Energetics of Non-Heme Iron Reactivity: Can Ab Initio Calculations Provide the Right Answer?, Phys. Chem. Chem. Phys. 22, 23908 – 23919 (2020)
G. Roos, J. Oláh, R. Ingle, R. Kobayashi and M. Feldt, Online conferences – towards a new (virtual) reality, Comput. Theor. Chem. 1189, 112975 (2020)
P. Löwe, M. Feldt, M. A. Wünsche, L. F. B. Wilm and F. Dielmann, Oxophosphonium-alkyne cycloaddition reactions: reversible formation of 1,2-oxaphosphetes and six-membered phosphorus heterocycles, JACS 142, 9818–9826 (2020)
2019
Q. M. Phung, C. Martin-Fernandez, J. N. Harvey and M. Feldt, Ab Initio Calculations for Spin-Gaps of Non-Heme Iron Complexes, J. Chem. Theory Comput. 15, 4297–4304 (2019)
M. Feldt, Q. M. Phung, K. Pierloot, R. A. Mata and J. N. Harvey, Limits of Coupled-Cluster Calculations for Non-Heme Iron Complexes, J. Chem. Theory Comput. 15, 922–937 (2019)