Publications
CL-FEP: An end-state free energy perturbation approach” Journal of Chemical Theory and Computation 2020 6 (3), 1396-1410. DOI: 10.1021/acs.jctc.9b00725. Tatjana Weil, Rüdiger Groß, Annika Röcker, Kenny Bra [...] between Dimethylether and Formic Acid- an Ab initio and Matrix Isolation Study” ChemPhysChem (2005), 6, 618. Sánchez-García, Elsa ; George, Lisa; Montero, Luis A. and Sander, Wolfram. “1:2 Formic Acid/Acetylene …