Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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12:11 min
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April 8th, 2020
DOI :
April 8th, 2020
•Rozdziały w tym wideo
0:04
Introduction
1:05
Minimum Isolated Glycine (Gly) and Water (H2O) Structure and Energy Determination
2:35
Genetic-Algorithm-Based Configurational Sampling of Gly(H2O)n=1-5
4:51
QM Method Refinement with a Small Basis Set
6:44
Further QM Method Refinement with a Large Basis Set
8:04
Final Energy and Thermodynamic Correction Calculations
10:08
Results: Representative Atmospheric Molecular Cluster Concentration Computation
11:35
Conclusion
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