| Coordinator | Walter, Michael |
| Grant period | 2015-11-01 - 2017-10-31 |
| Funding body | NIC |
| Identifier | G:(DE-Juel1)hfr08_20151101 |
⇦ Ab initio description of molecular interactions on support and substituent effects in spiropyranes Ab initio description of interaction between lignin and carbon nanotubes ⇨
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Journal Article
Substituent Correlations Characterized by Hammett Constants in the Spiropyran–Merocyanine Transition
The journal of physical chemistry <Washington, DC> / A 121(13), 2683 - 2687 (2017) [10.1021/acs.jpca.7b01248]
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Spectroscopic signatures of triplet states in acenes
Journal of physics / B 50(15), 154007 - (2017) [10.1088/1361-6455/aa7d2c]
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Offset-corrected Δ-Kohn-Sham scheme for semiempirical prediction of absolute x-ray photoelectron energies in molecules and solids
Physical review / B 94(4), 041112 (2016) [10.1103/PhysRevB.94.041112]
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