Kai Welke
Affiliations: | 2014-2017 | Institute of Transformative Bio-Molecules (ITbM) | Nagoya University, Nagoya-shi, Aichi-ken, Japan |
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| Anand N, Welke K, Irle S, et al. (2019) Nonadiabatic excited-state intramolecular proton transfer in 3-hydroxyflavone: S state involvement via multi-mode effect. The Journal of Chemical Physics. 151: 214304 |
| Hirakawa Y, Shinohara H, Welke K, et al. (2017) Cryptic bioactivity capacitated by synthetic hybrid plant peptides. Nature Communications. 8: 14318 |
| Kitoh-Nishioka H, Welke K, Nishimoto Y, et al. (2017) Multiscale Simulations on Charge Transport in Covalent Organic Frameworks Including Dynamics of Transfer Integrals from the FMO-DFTB/LCMO Approach The Journal of Physical Chemistry C. 121: 17712-17726 |
| Osaki H, Chou CM, Taki M, et al. (2016) A Macrocyclic Fluorophore Dimer with Flexible Linkers: Bright Excimer Emission with a Long Fluorescence Lifetime. Angewandte Chemie (International Ed. in English) |
| Kubař T, Welke K, Groenhof G. (2015) New QM/MM implementation of the DFTB3 method in the gromacs package. Journal of Computational Chemistry. 36: 1978-89 |
| Heck A, Woiczikowski PB, Kuba? T, et al. (2014) Fragment orbital based description of charge transfer in peptides including backbone orbitals. The Journal of Physical Chemistry. B. 118: 4261-72 |