Related Experiment Video
Updated: Jul 23, 2026

Measuring Carbon-based Contaminant Mineralization Using Combined CO2 Flux and Radiocarbon Analyses
Published on: October 21, 2016
Computed lifetimes of metastable states of CO2+
T Sedivcová1, P R Zdánská, V Spirko
1Department of Molecular Modeling, Center for Biomolecules and Complex Molecular Systems, Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo námesti 2, 166 10 Prague 6, Czech Republic.
Abstract:
Highly correlated internally contracted multireference configuration interaction wave functions are used to calculate the potential energy and spin-orbit coupling functions for the lowest electronic states of CO2+ dication. Using these functions, the positions and lifetimes of the corresponding vibronic states are evaluated by means of log-phase-amplitude, stabilization, and complex-scaling methods within the framework of a multichannel Schrodinger analysis. For the first time in the literature, the calculated lifetimes are in good agreement with the experiment, thereby proving the reliability of the predicted characteristics and adequacy of the used theory for a theoretical study of other molecular dications.
Related Concept Videos
Phase Diagrams
Half-life of a Reaction
Mean free path and Mean free time
Carbon Dioxide Transport in the Blood
Forms of CO2 Transport
1. Dissolved in plasma: A small percentage (7-10%) of CO2 is transported and dissolved directly in the plasma.
2. Carbaminohemoglobin: Just over 20% of CO2 is chemically bound to...
Transition State Theory
Noncompartmental Analysis: Mean Residence Time
After the administration of a drug through intravenous bolus injection, the drug molecules are distributed throughout the body and remain there for varying periods. The MRT represents the average time these drug molecules stay in the...

