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1.
J Chem Phys ; 153(4): 044301, 2020 Jul 28.
Article in English | MEDLINE | ID: mdl-32752711

ABSTRACT

Kinetics of photoinduced intramolecular charge separation (CS) and the ensuing ultrafast charge recombination (CR) in electron-donor-acceptor dyads are studied numerically, taking into account the excitation of charge-transfer active intramolecular vibrations and multiple relaxation time scales of the surrounding polar solvent. Both energetic and dynamic properties of intramolecular and solvent reorganization are considered, and their influence on the CS/CR kinetics and quantum yield of ultrafast CS is explored. Particular attention is paid to the energy efficiency of CS, as one of the most important parameters indicating the promise of using a molecular compound as a basis for emerging optoelectronic devices. The CS quantum yield and the energy efficiency of CS are shown to depend differently on the key model parameters. Necessary conditions for the highly efficient CS are evaluated using analytic formulae for the electron transfer rates and derived from numerical simulation data. The reasons why low-exergonic CS taking place in the Marcus normal region can be much slower than CR in the deep inverted region are discussed.

2.
Article in German | MEDLINE | ID: mdl-10800247

ABSTRACT

OBJECTIVE: Is the corona electrography of Kirlian photography an accidental pattern or an individual specific discharge pattern? PATIENTS: 30 patients of the Stauferklinik Schwäbisch Gmünd, suffering from a great variety of diseases. STUDY DESIGN: At intervals of 10-15 min 10 Kirlian photos each of all fingers and toes were taken from each patient. Out of this material, from 8 patients 4 Kirlian photos each with evident similarity of the discharge radiographs of 3 fingers were selected. These images were scanned for mathematical procedures, and heuristic measurements of the histograms were evaluated by a genetic algorithm. RESULTS: Three pattern groups showed different heuristic measurements: accidental pattern 0.28 +/- 0.01, Kirlian pattern in general 0.3 +/- 0.02, and Kirlian pattern of the same person 0.44 +/- 0.05. CONCLUSIONS: The mathematical objectivation of the Kirlian photographs confirm the visual impression of strong similarity. Because of the lack of anatomical irregularities and since, due to new positioning, physical and chemical surface characteristics were changed in the single Kirlian photographs, the identification of the basic pattern stresses the existence of an individual discharge pattern and thus of an individual electromagnetic field.


Subject(s)
Complementary Therapies/methods , Diagnostic Techniques and Procedures , Photography , Disease , Fingers , Humans , Reproducibility of Results , Toes
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