Zobrazeno 1 - 9 of 9 pro vyhledávání: '"Xiu-Fang Tang"'
2
Mechanistic Photophysics of Tellurium-Substituted Uracils: Insights from Multistate Complete-Active-Space Second-Order Perturbation Calculations
Autor: Ganglong Cui, Bin-Bin Xie, Teng-Shuo Zhang, Yun-Hua Zhu, Xiu-Fang Tang, Xue-Ping Chang
Publikováno v: The Journal of Physical Chemistry A. 125:8816-8826
The photophysical mechanisms of tellurium-substituted uracils were studied at the multistate complete-active-space second-order perturbation level with a particular focus on how the position and number of tellurium substitutions affect their nonadiab
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f7aa00e46639901cbce0ee45a009ad07
https://doi.org/10.1021/acs.jpca.1c06169
Zobrazit plný text záznamu
3
Nonadiabatic dynamics simulation of photoinduced ring-opening reaction of 2(5H)-thiophenone with internal conversion and intersystem crossing
Autor: Bo-Long Liu, Wei-Hai Fang, Xiu-Fang Tang, Lin Shen, Bin-Bin Xie, Diandong Tang
Publikováno v: Physical Chemistry Chemical Physics. 23:9867-9877
In the present work, the quantum trajectory mean-field approach, which is able to overcome the overcoherence problem, was generalized to simulate internal conversion and intersystem crossing processes simultaneously. The photoinduced ring-opening and
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::8bd833775dbcf0f9be3864081a5f5272
https://doi.org/10.1039/d1cp00281c
Zobrazit plný text záznamu
4
Mechanistic photophysics and photochemistry of unnatural bases and sunscreen molecules: insights from electronic structure calculations
Autor: Xiu-Fang Tang, Xiang-Yang Liu, Xueping Chang, Ganglong Cui, Bin-Bin Xie
Publikováno v: Physical chemistry chemical physics : PCCP. 23(48)
Photophysics and photochemistry are basic subjects in the study of light-matter interactions and are ubiquitous in diverse fields such as biology, energy, materials, and environment. A full understanding of mechanistic photophysics and photochemistry
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::58ff8fb6f44988eeebf1c25c036eb2ed
https://pubmed.ncbi.nlm.nih.gov/34849517
Zobrazit plný text záznamu
5
MS-CASPT2 studies on the mechanistic photophysics of tellurium-substituted guanine and cytosine
Autor: Bin-Bin Xie, Xiu-Fang Tang, Teng-Shuo Zhang, Ganglong Cui, Yun-Hua Zhu
Publikováno v: Physical chemistry chemical physics : PCCP. 23(21)
Sulfur-substituted nucleobases are highly promising photosensitizers that are widely used in photodynamic therapy, and there are numerous studies exploring their unique photophysical behaviors. However, relevant photophysical investigations on seleni
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d8f603730505ca2eee08e71fdedd4b31
https://pubmed.ncbi.nlm.nih.gov/34028476
Zobrazit plný text záznamu
6
Nonadiabatic dynamics simulation of photoinduced ring-opening reaction of 2(5
Autor: Bin-Bin, Xie, Bo-Long, Liu, Xiu-Fang, Tang, Diandong, Tang, Lin, Shen, Wei-Hai, Fang
Publikováno v: Physical chemistry chemical physics : PCCP. 23(16)
In the present work, the quantum trajectory mean-field approach, which is able to overcome the overcoherence problem, was generalized to simulate internal conversion and intersystem crossing processes simultaneously. The photoinduced ring-opening and
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::95a3e83181e837f5cbb14e9d44b9a562
https://pubmed.ncbi.nlm.nih.gov/33908501
Zobrazit plný text záznamu
7
Akademický článek
Mechanistic photophysics and photochemistry of unnatural bases and sunscreen molecules: insights from electronic structure calculations.
Autor: Bin-Bin Xie, Xiu-Fang Tang, Xiang-Yang Liu, Xue-Ping Chang, Ganglong Cui
Publikováno v: Physical Chemistry Chemical Physics (PCCP); 12/28/2021, Vol. 23 Issue 48, p27124-27149, 26p
Zobrazit plný text záznamu

Vyhledávací nástroje:

Upřesnit hledání

Omezení vyhledávání
Plný text Recenzováno Digitální knihovna AV ČR
Zdroje