Zobrazeno 1 - 10
of 50
pro vyhledávání: '"Marcin, Andrzejak"'
Publikováno v:
Molecules, Vol 29, Iss 23, p 5562 (2024)
The main purpose of this study is to characterize the nature of the low-energy singlet excited states of the anthranilic acid homodimer (AA2) and their changes (symmetry breaking) caused by deformation of the centrosymmetric, ground state structure o
Externí odkaz:
https://doaj.org/article/39ef81b6b75d4f79ad391d3f25aa805c
Publikováno v:
Molecules, Vol 26, Iss 23, p 7163 (2021)
There is experimental evidence of high vibronic activity that accompanies the allowed transition between the ground state and the lowest electronic singlet excited state of oligofurans that contain two, three, and four furan rings. The absorption and
Externí odkaz:
https://doaj.org/article/5aea8f6ad44745cb82991bf7c8055a8c
Publikováno v:
The Journal of Physical Chemistry C. 124:3529-3535
The spectrum of vibrational coherences modulating transient triplet–triplet absorption of bis-triisopropylsilylethynylpentacene that propagate in the course of the fission process from the singlet state of this molecule to the triplet manifold has
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a6efdf6ef4cd0790ace538b4f743e228
https://doi.org/10.1021/acs.jpcc.9b11772
https://doi.org/10.1021/acs.jpcc.9b11772
Publikováno v:
Molecules, Vol 26, Iss 7163, p 7163 (2021)
Molecules
Molecules; Volume 26; Issue 23; Pages: 7163
Molecules
Molecules; Volume 26; Issue 23; Pages: 7163
There is experimental evidence of high vibronic activity that accompanies the allowed transition between the ground state and the lowest electronic singlet excited state of oligofurans that contain two, three, and four furan rings. The absorption and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::17101e41c047e7211e64bfe29a3e6392
https://ruj.uj.edu.pl/xmlui/handle/item/284743
https://ruj.uj.edu.pl/xmlui/handle/item/284743
Persevering research efforts that seek to harness the potential of singlet fission to increase the efficiency of photovoltaic devices have recently focused on vibronic mechanisms that presumably un...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ca74c7db4775945fb37ffc34ce262c00
https://ruj.uj.edu.pl/xmlui/handle/item/260881
https://ruj.uj.edu.pl/xmlui/handle/item/260881
Publikováno v:
The Journal of Physical Chemistry C. 123:91-101
A phenomenological wave-function-based model of vibrationally coherent absorption modulation is proposed and applied to reproduce the triplet–triplet absorption spectra of bis-triisopropylsilylethy...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::37e0481a7a996001e9b77da39e7053c3
https://doi.org/10.1021/acs.jpcc.8b09124
https://doi.org/10.1021/acs.jpcc.8b09124
Publikováno v:
Journal of Molecular Structure. 1116:272-278
In this study, the comprehensive theoretical and experimental investigations of Raman (RS) and infrared absorption (IR) spectra of bradykinin (BK) are presented. The ab initio Born-Oppenheimer molecular dynamics (BOMD) calculations, in the presence o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4ec75c1dc3fff798bed15d7e8493cc73
https://doi.org/10.1016/j.molstruc.2016.03.041
https://doi.org/10.1016/j.molstruc.2016.03.041
Publikováno v:
Journal of Quantitative Spectroscopy and Radiative Transfer. 242:106747
Experimentally-based evaluation of the changes of equilibrium geometry for the S0→S1(ππ*) excitation in anthranilic acid via fitting of Franck–Condon factors is tested for reliability. The modeling is based on the experimental band intensities
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::57743b610455a822cf4e5ed377fb3a69
https://doi.org/10.1016/j.jqsrt.2019.106747
https://doi.org/10.1016/j.jqsrt.2019.106747
Publikováno v:
The journal of physical chemistry. A. 122(30)
The S
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::af5e5cb5cbcbb2592cdd93847836ac0b
https://pubmed.ncbi.nlm.nih.gov/29965767
https://pubmed.ncbi.nlm.nih.gov/29965767
Autor:
Marcin Andrzejak, Piotr Petelenz
Publikováno v:
Physical chemistry chemical physics : PCCP. 20(20)
With the perspective of future vibronic studies, ab initio calculations of the energies of vibrational relaxation that follows the processes of singlet or triplet excitation, and positive or negative ionization, are reported for four series of compou
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0fdb6bc5f3ff5a653220f5ccdd034128
https://pubmed.ncbi.nlm.nih.gov/29745952
https://pubmed.ncbi.nlm.nih.gov/29745952