This content is Free Access.
Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
7,757 Views
•
12:11 min
•
April 08, 2020
DOI:
Summary
Automatically generated
The atmospheric concentrations of weakly bound molecular clusters can be computed from the thermochemical properties of low energy structures found through a multi-step configurational sampling methodology utilizing a genetic algorithm and semi-empirical and ab initio quantum chemistry.
Read Article
Cite this Article
Odbadrakh, T. T., Gale, A. G., Ball, B. T., Temelso, B., Shields, G. C. Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry. J. Vis. Exp. (158), e60964, doi:10.3791/60964 (2020).
Copy