Zobrazeno 1 - 10
of 504
pro vyhledávání: '"Wolfgang Domcke"'
Publikováno v:
Molecules, Vol 24, Iss 2, p 231 (2019)
We explore, by theoretical modeling and computer simulations, how nonadiabatic couplings of excited electronic states of a polyatomic chromophore manifest themselves in single-molecule signals on femtosecond timescales. The chromophore is modeled as
Externí odkaz:
https://doaj.org/article/847b004998664863a1a278dec6c9d2bc
Publikováno v:
Molecules, Vol 22, Iss 1, p 135 (2017)
It has been reported that 8-oxo-7,8-dihydro-guanosine (8-oxo-G), which is the main product of oxidative damage of DNA, can repair cyclobutane pyrimidine dimer (CPD) lesions when incorporated into DNA or RNA strands in proximity to such lesions. It ha
Externí odkaz:
https://doaj.org/article/63b95425b4214f2f8ecbf370abd0e176
The concept of adiabatic electronic potential-energy surfaces, defined by the Born-Oppenheimer approximation, is fundamental to our thinking about chemical processes. Recent computational as well as experimental studies have produced ample evidence t
Autor:
Sebastian Pios, Wolfgang Domcke
Publikováno v:
The Journal of Physical Chemistry A. 127:3372-3380
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::575c4acc22aeb4658f7d9966ba8fed9c
https://doi.org/10.1021/acs.jpca.3c00560
https://doi.org/10.1021/acs.jpca.3c00560
Publikováno v:
Chemical Reviews. 122:17339-17396
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a8c39ae6887e67d9199d4f595946f5f5
https://doi.org/10.1021/acs.chemrev.2c00329
https://doi.org/10.1021/acs.chemrev.2c00329
Autor:
Andrzej L. Sobolewski, Wolfgang Domcke
The inversion of the energies of the lowest singlet (S1) and triplet (T1) excited states in violation of Hund’s multiplicity rule is a rare phenomenon in stable organic molecules. S1-T1 inversion has significant consequences for the photophysics an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d36ab6aa3cf6efb1663559d5f66eac38
https://doi.org/10.26434/chemrxiv-2023-chzq3
https://doi.org/10.26434/chemrxiv-2023-chzq3
It is widely recognized nowadays that conical intersections of molecular potential-energy surfaces play a key mechanistic role in the spectroscopy of polyatomic molecules, photochemistry and chemical kinetics. This invaluable book presents a systemat
Autor:
Xiang Huang, Wolfgang Domcke
Publikováno v:
Physical Chemistry Chemical Physics. 24:15925-15936
Ab initio surface-hopping dynamics simulations provide temporally and structurally resolved insight into the photoinduced proton-coupled electron transfer reaction in hydrogen-bonded complexes of trianisoleheptazine with phenol and methoxyphenol.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d9b226535a20f84bf97f873d20564e5d
https://doi.org/10.1039/d2cp01262f
https://doi.org/10.1039/d2cp01262f
Publikováno v:
ChemPhotoChem. 5:680-690
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4c95103de3b3f54699c6aacad4f5cbca
https://doi.org/10.1002/cptc.202000305
https://doi.org/10.1002/cptc.202000305
Autor:
Wolfgang Domcke, Andrzej L. Sobolewski
Publikováno v:
The journal of physical chemistry. B. 126(15)
In this perspective, we discuss a novel water-splitting scenario, namely the direct oxidation of water molecules by organic photooxidants in hydrogen-bonded chromophore-water complexes. In comparison with the established scenario of semiconductor-bas
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d393720d392862155aabdb86a30955e7
https://pubmed.ncbi.nlm.nih.gov/35385277
https://pubmed.ncbi.nlm.nih.gov/35385277