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author = "Etinski, Mihajlo"
1
Found 5 documents, displaying page 1 of 1
The role of Duschinsky rotation in intersystem crossing: A case study of uracil
Author(s) :
Etinski Mihajlo
Description :
The intersystem crossing rate for the transition between the lowest excited singlet and triplet electronic states of uracil was studied by means of ab initio methods. The rate was evaluated using the timedependent approach based on the correlation function and its two approximations: the second-o...
Repository :
DOAJ-Articles
Language(s) :
English
Effect of temperature on rate of the spin-forbidden transition in uracil and thymine
Author(s) :
Etinski Mihajlo
Description :
The intersystem crossing rates of uracil and thymine molecules in interaction with the heat bath were studied by means of the ab initio methods. The rates were calculated employing the time-dependent approach based on the correlation function. The normal modes of the singlet and triplet electroni...
Repository :
DOAJ-Articles
Language(s) :
English
Comparison between time-dependent and time-independent methods for the calculation of inter-system crossing rates: Application to uracil and its derivatives
Author(s) :
Etinski, Mihajlo
Description :
Der erste Teil dieser Arbeit beschäftigt sich mit der theoretischen Formulierung des
Problems, Interkombinationsraten in Molekülen effizient zu evaluieren. Dafür werden
zeitunabhängige- und zeitabhängige Näherungen verwendet. Letztere wird ausführlicher
diskutiert. Das zentrale Objekt der zeitabhäng...
Repository :
Univ. Duesseldorf: Duesseldorfer Dokumenten- und Publikationsserver
Language(s) :
English
Investigation of the spin-forbidden process in thymine
Author(s) :
Etinski Mihajlo R.
Description :
The intersystem crossing rate from the lowest singlet to the lowest triplet state of thymine was studied by means of the ab initio methods. The rate was calculated employing the time-dependent approach based on the correlation function. The normal modes of the singlet and triplet electronic state...
Repository :
DOAJ-Articles
Language(s) :
Undetermined
Quantum-chemical investigation of the 1-methylthymine dimer photoproduct: Pyrimidine-(6-4)-pyrimidone adduct
Description :
One of the products of a photochemical reaction induced by UV irradiation of 1-methyltimine dimmer is pyrimidine(6-4)pyrimidone. Due to the low yield of this product, it is difficult to examine its geometry and vibrational spectrum. In this study we used quantum chemical methods to characterize ...
Repository :
DOAJ-Articles
Language(s) :
English
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Found 5 documents, displaying page 1 of 1