Theoretical Studies on the Excited-State Decay Mechanism of Homomenthyl Salicylate in a Gas Phase and an Acetonitrile Solution

2021 ◽  
Author(s):  
Xue-Ping Chang ◽  
Teng-Shuo Zhang ◽  
Ganglong Cui
Keyword(s):  
Excited State ◽  
Gas Phase ◽  
Acetonitrile Solution ◽  
Theoretical Studies ◽  
Decay Mechanism ◽  
State Decay

The excited-state decay mechanism of 2,4-dithiothymine in the gas phase, microsolvated surroundings, and aqueous solution

2017 ◽  
Vol 19 (11) ◽  
pp. 7689-7698 ◽  
Author(s):  
Bin-Bin Xie ◽  
Qian Wang ◽  
Wei-Wei Guo ◽  
Ganglong Cui
Keyword(s):  
Aqueous Solution ◽  
Excited State ◽  
Gas Phase ◽  
Computational Methods ◽  
Decay Mechanism ◽  
State Decay

We have employed computational methods to systematically explore the excited-state decay mechanism of 2,4-dithiothymine.

scholarly journals Absorption, fluorescence, Raman spectroscopic and density functional theoretical studies on the singlet and triplet excited state decay of 3-amino-5-mercapto-1,2,4-triazole

RSC Advances ◽  
2020 ◽  
Vol 10 (23) ◽  
pp. 13442-13450
Author(s):  
Aimin Duan ◽  
Suosuo An ◽  
Jiadan Xue ◽  
Xuming Zheng ◽  
Yanying Zhao
Keyword(s):  
Biological Sciences ◽  
Excited State ◽  
Heterocyclic Compounds ◽  
Density Functional ◽  
Decay Process ◽  
Theoretical Studies ◽  
Triplet Excited State ◽  
Raman Spectroscopic ◽  
State Decay

The excited state decay process of N-heterocyclic compounds is attracting increasing attention due to their fundamental applications in pharmaceutical and biological sciences.

6P7/2-Excited-State Decay Mechanism and Energy-Transfer Processes in KMgF3:Eu2+and KMgF3:Eu−X (X = Gd, Ce, Cr)

2001 ◽  
Vol 13 (11) ◽  
pp. 3969-3974 ◽  
Author(s):  
Haiquan Su ◽  
Zhihong Jia ◽  
Chunshan Shi ◽  
Ju Xin ◽  
S. A. Reid
Keyword(s):  
Energy Transfer ◽  
Excited State ◽  
Decay Mechanism ◽  
State Decay ◽  
Transfer Processes

Intramolecular vibrational redistribution in the non-radiative excited state decay of uracil in the gas phase: an ab initio molecular dynamics study

2015 ◽  
Vol 17 (17) ◽  
pp. 11615-11626 ◽  
Author(s):  
Philippe Carbonniere ◽  
Claude Pouchan ◽  
Roberto Improta
Keyword(s):  
Molecular Dynamics ◽  
Excited State ◽  
Ab Initio ◽  
Gas Phase ◽  
Ground State ◽  
Md Simulations ◽  
Ab Initio Molecular Dynamics ◽  
State Decay ◽  
State Recovery

MD simulations provide the first atomistic insights into the IVR processes of photoexcited uracil soon after ground state recovery.

Theoretical studies on the photochemistry of 2-nitrofluorene in the gas phase and acetonitrile solution

2020 ◽  
Vol 22 (29) ◽  
pp. 16772-16782
Author(s):  
Bo Li ◽  
Teng-Shuo Zhang ◽  
Jiadan Xue ◽  
Bin-Bin Xie ◽  
Wei-Hai Fang ◽  
...  
Keyword(s):  
Gas Phase ◽  
Acetonitrile Solution ◽  
Theoretical Studies

The photophysics and photodegradation of 2-nitrofluorene.

Integration of Core-Edge Spectroscopy Methods for the Study of Polymers

1996 ◽  
Vol 54 ◽  
pp. 154-155
Author(s):  
E. G. Rightor
Keyword(s):  
Excited State ◽  
Polymer Blends ◽  
Gas Phase ◽  
Spatial Resolution ◽  
High Spatial Resolution ◽  
Electronic States ◽  
Core Electron ◽  
Bulk Solids ◽  
Development Application

Core edge spectroscopy methods are versatile tools for investigating a wide variety of materials. They can be used to probe the electronic states of materials in bulk solids, on surfaces, or in the gas phase. This family of methods involves promoting an inner shell (core) electron to an excited state and recording either the primary excitation or secondary decay of the excited state. The techniques are complimentary and have different strengths and limitations for studying challenging aspects of materials. The need to identify components in polymers or polymer blends at high spatial resolution has driven development, application, and integration of results from several of these methods.

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