Theoretical Study of Gas Phase Tautomerization Reactions for the Ground and First Excited Electronic States of Adenine

2002 ◽  
Vol 106 (16) ◽  
pp. 4251-4256 ◽  
Author(s):  
Latasha M. Salter ◽  
Galina M. Chaban
Keyword(s):  
Gas Phase ◽  
Theoretical Study ◽  
Electronic States ◽  
Excited Electronic States

scholarly journals Determination of Excited State Molecular Structures from Time-Resolved Gas-Phase X-Ray Scattering

2020 ◽  
Author(s):  
Haiwang Yong ◽  
Andrés Moreno Carrascosa ◽  
Lingyu Ma ◽  
Brian Stankus ◽  
Michael P Minitti ◽  
...  
Keyword(s):  
Excited State ◽  
Gas Phase ◽  
Electronic States ◽  
Molecular Structures ◽  
Excited Electronic States ◽  
Comprehensive Investigation ◽  
Time Resolved ◽  
X Ray ◽  
X Ray Scattering

We present a comprehensive investigation of a recently introduced method to determine transient structures of molecules in excited electronic states with sub-Ångstrom resolution from time-resolved gas-phase scattering signals. The method,...

AB-INITIO THEORETICAL APPROACHES TO THE STRUCTURAL, ELECTRONIC AND VIBRATIONAL PROPERTIES OF SMALL CLUSTERS AND FULLERENES: THE STATE OF THE ART

1993 ◽  
Vol 04 (02) ◽  
pp. 227-237
Author(s):  
WANDA ANDREONI
Keyword(s):  
Ab Initio ◽  
Vibrational Spectra ◽  
Theoretical Study ◽  
State Of The Art ◽  
Electronic States ◽  
Vibrational Properties ◽  
Ab Initio Methods ◽  
Excited Electronic States ◽  
Theoretical Approaches ◽  
Small Clusters

A brief report is presented of recent advances in the theoretical study of clusters and fullerenes with ab-initio methods. Selected calculations of structural properties, excited electronic states and vibrational spectra will be discussed. The purpose is to compare different methods and clarify their specific powers and weaknesses.

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