scholarly journals Computing the Ultrafast and Radiationless Electronic Excited State Decay of Cytosine and 5‐methyl‐cytosine Cations: Uncovering the Role of Dynamic Electron Correlation

ChemPhotoChem ◽  
2019 ◽  
Vol 3 (9) ◽  
pp. 856-865
Author(s):  
Javier Segarra‐Martí ◽  
Thierry Tran ◽  
Michael J. Bearpark
Keyword(s):  
Excited State ◽  
Electron Correlation ◽  
Electronic Excited State ◽  
State Decay ◽  
Methyl Cytosine

scholarly journals Ultrafast and radiationless electronic excited state decay of uracil and thymine cations: computing the effects of dynamic electron correlation

2019 ◽  
Vol 21 (26) ◽  
pp. 14322-14330 ◽  
Author(s):  
Javier Segarra-Martí ◽  
Thierry Tran ◽  
Michael J. Bearpark
Keyword(s):  
Excited State ◽  
Excited States ◽  
Electron Correlation ◽  
Electronic Excited States ◽  
Electronic Excited State ◽  
State Decay ◽  
Radiationless Decay

In this article we characterise the radiationless decay of the first few electronic excited states of the cations of DNA/RNA nucleobases uracil and thymine, including the effects of dynamic electron correlation on energies and geometries (optimised with XMS-CASPT2).

Role of the electronic excited-state hydrogen bonding in the nitro-explosives detection by [Zn2(oba)2(bpy)]

2016 ◽  
Vol 661 ◽  
pp. 257-262 ◽  
Author(s):  
Peipei Wang ◽  
Xuedan Song ◽  
Zhengyan Zhao ◽  
Lei Liu ◽  
Wensheng Mu ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Excited State ◽  
Explosives Detection ◽  
Electronic Excited State ◽  
Nitro Explosives

Excited-State Decay Pathways of Flavin Molecules in Five Redox Forms: The Role of Conical Intersections

2018 ◽  
Vol 122 (40) ◽  
pp. 7954-7961 ◽  
Author(s):  
Yuejie Ai ◽  
Chaofeng Zhao ◽  
Jinlu Xing ◽  
Yang Liu ◽  
Zhangxia Wang ◽  
...  
Keyword(s):  
Excited State ◽  
Conical Intersections ◽  
State Decay ◽  
Redox Forms

Role of Mode-mode Coupling in Short-time Excited State Decay

2005 ◽  
Vol 55 (5) ◽  
pp. 579-592 ◽  
Author(s):  
Miroslav Mensik ◽  
Stanislav Nespurek
Keyword(s):  
Excited State ◽  
Mode Coupling ◽  
State Decay ◽  
Short Time

Renilla Bioluminescence: A Morphologic Approach to the Location of Photocytes

1974 ◽  
Vol 32 ◽  
pp. 208-209
Author(s):  
Ben O. Spurlock ◽  
Milton J. Cormier
Keyword(s):  
Excited State ◽  
Ground State ◽  
Molecular Basis ◽  
Light Emission ◽  
Chemical Basis ◽  
Electronic Excited State ◽  
Colonial Form ◽  
The Common ◽  
Eighteenth And Nineteenth Centuries ◽  
Catalyzed Oxidation

The phenomenon of bioluminescence has fascinated layman and scientist alike for many centuries. During the eighteenth and nineteenth centuries a number of observations were reported on the physiology of bioluminescence in Renilla, the common sea pansy. More recently biochemists have directed their attention to the molecular basis of luminosity in this colonial form. These studies have centered primarily on defining the chemical basis for bioluminescence and its control. It is now established that bioluminescence in Renilla arises due to the luciferase-catalyzed oxidation of luciferin. This results in the creation of a product (oxyluciferin) in an electronic excited state. The transition of oxyluciferin from its excited state to the ground state leads to light emission.

Dynamic adjustment of emission from both singlets and triplets: the role of excited state conformation relaxation and charge transfer in phenothiazine derivates

2021 ◽  
Author(s):  
Weidong Qiu ◽  
Xinyi Cai ◽  
Mengke Li ◽  
Liangying Wang ◽  
Yanmei He ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Dynamic Adjustment ◽  
Twisted Intramolecular Charge Transfer

Dynamic adjustment of emission behaviours by controlling the extent of twisted intramolecular charge transfer character in excited state.

scholarly journals Impact of the Dynamic Electron Correlation on the Unusually Long Excited-State Lifetime of Thymine

2021 ◽  
pp. 4339-4346
Author(s):  
Woojin Park ◽  
Seunghoon Lee ◽  
Miquel Huix-Rotllant ◽  
Michael Filatov ◽  
Cheol Ho Choi
Keyword(s):  
Excited State ◽  
Electron Correlation ◽  
Excited State Lifetime

scholarly journals Revealing the role of excited state proton transfer (ESPT) in excited state hydrogen transfer (ESHT): systematic study in phenol–(NH3)n clusters

2021 ◽  
Author(s):  
Christophe Jouvet ◽  
Mitsuhiko Miyazaki ◽  
Masaaki Fujii
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Systematic Study ◽  
General Model ◽  
Hydrogen Transfer ◽  
Excited State Proton Transfer

A general model of excited state hydrogen transfer (ESHT) which unifies ESHT and the excited state proton transfer (ESPT) is presented from experimental and theoretical works on phenol–(NH3)n. The hidden role of ESPT is revealed.

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