Excited states dynamics of DNA and RNA bases: Characterization of a stepwise deactivation pathway in the gas phase

2005 ◽  
Vol 122 (7) ◽  
pp. 074316 ◽  
Author(s):  
Clélia Canuel ◽  
Michel Mons ◽  
François Piuzzi ◽  
Benjamin Tardivel ◽  
Iliana Dimicoli ◽  
...  
Keyword(s):  
Gas Phase ◽  
Excited States ◽  
Dna And Rna ◽  
Rna Bases

Gas phase interaction of zinc ion with purine and pyrimidine DNA and RNA bases

2006 ◽  
Vol 107 (2) ◽  
pp. 311-317 ◽  
Author(s):  
T. Marino ◽  
D. Mazzuca ◽  
M. Toscano ◽  
N. Russo ◽  
A. Grand
Keyword(s):  
Gas Phase ◽  
Zinc Ion ◽  
Phase Interaction ◽  
Dna And Rna ◽  
Rna Bases

Ab Initio Ionization Energy Thresholds of DNA and RNA Bases in Gas Phase and in Aqueous Solution

2004 ◽  
Vol 108 (30) ◽  
pp. 6373-6377 ◽  
Author(s):  
Carlos E. Crespo-Hernández ◽  
Rafael Arce ◽  
Yasuyuki Ishikawa ◽  
Leonid Gorb ◽  
Jerzy Leszczynski ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Ab Initio ◽  
Gas Phase ◽  
Ionization Energy ◽  
Dna And Rna ◽  
Rna Bases ◽  
Energy Thresholds

Gas-phase theoretical prediction of the metal affinity of copper(I) ion for DNA and RNA bases

2003 ◽  
Vol 38 (3) ◽  
pp. 265-270 ◽  
Author(s):  
Nino Russo ◽  
Marirosa Toscano ◽  
Andr� Grand
Keyword(s):  
Theoretical Prediction ◽  
Gas Phase ◽  
Metal Affinity ◽  
Dna And Rna ◽  
Rna Bases

A Thorough Theoretical Exploration of Intriguing Characteristics of Cyclo[18]carbon: Geometry, Bonding Nature, Aromaticity, Weak Interaction, Reactivity, Excited States, Vibrations, Molecular Dynamics and Various Molecular Properties

2019 ◽  
Author(s):  
Tian Lu ◽  
Qinxue Chen ◽  
Zeyu Liu
Keyword(s):  
Molecular Dynamics ◽  
Excited States ◽  
Electronic Excitation ◽  
Ring Structure ◽  
Molecular Properties ◽  
Molecular Vibration ◽  
Full Characterization ◽  
Long Time ◽  
Almost All

Although cyclo[18]carbon has been theoretically and experimentally investigated since long time ago, only very recently it was prepared and directly observed by means of STM/AFM in condensed phase (Kaiser et al., <i>Science</i>, <b>365</b>, 1299 (2019)). The unique ring structure and dual 18-center π delocalization feature bring a variety of unusual characteristics and properties to the cyclo[18]carbon, which are quite worth to be explored. In this work, we present an extremely comprehensive and detailed investigation on almost all aspects of the cyclo[18]carbon, including (1) Geometric characteristics (2) Bonding nature (3) Electron delocalization and aromaticity (4) Intermolecular interaction (5) Reactivity (6) Electronic excitation and UV/Vis spectrum (7) Molecular vibration and IR/Raman spectrum (8) Molecular dynamics (9) Response to external field (10) Electron ionization, affinity and accompanied process (11) Various molecular properties. We believe that our full characterization of the cyclo[18]carbon will greatly deepen researchers' understanding of this system, and thereby help them to utilize it in practice and design its various valuable derivatives.

A Thorough Theoretical Exploration of Intriguing Characteristics of Cyclo[18]carbon: Geometry, Bonding Nature, Aromaticity, Weak Interaction, Reactivity, Excited States, Vibrations, Molecular Dynamics and Various Molecular Properties

2019 ◽  
Author(s):  
Tian Lu ◽  
Qinxue Chen ◽  
Zeyu Liu
Keyword(s):  
Molecular Dynamics ◽  
Excited States ◽  
Electronic Excitation ◽  
Ring Structure ◽  
Molecular Properties ◽  
Molecular Vibration ◽  
Full Characterization ◽  
Long Time ◽  
Almost All

Although cyclo[18]carbon has been theoretically and experimentally investigated since long time ago, only very recently it was prepared and directly observed by means of STM/AFM in condensed phase (Kaiser et al., <i>Science</i>, <b>365</b>, 1299 (2019)). The unique ring structure and dual 18-center π delocalization feature bring a variety of unusual characteristics and properties to the cyclo[18]carbon, which are quite worth to be explored. In this work, we present an extremely comprehensive and detailed investigation on almost all aspects of the cyclo[18]carbon, including (1) Geometric characteristics (2) Bonding nature (3) Electron delocalization and aromaticity (4) Intermolecular interaction (5) Reactivity (6) Electronic excitation and UV/Vis spectrum (7) Molecular vibration and IR/Raman spectrum (8) Molecular dynamics (9) Response to external field (10) Electron ionization, affinity and accompanied process (11) Various molecular properties. We believe that our full characterization of the cyclo[18]carbon will greatly deepen researchers' understanding of this system, and thereby help them to utilize it in practice and design its various valuable derivatives.

Characterization of 56 airborne persistent organic pollutants (POPs) in gas-phase and particle-phase

2021 ◽  
pp. 1-13
Author(s):  
Li Tan ◽  
Ning Wang ◽  
Yingjian Dong ◽  
Siyuan Li ◽  
Xuehan Wang ◽  
...  
Keyword(s):  
Gas Phase ◽  
Organic Pollutants ◽  
Persistent Organic Pollutants ◽  
Particle Phase
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