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Ammonia in positively charged pre-nucleation clusters: a quantum-chemical study and atmospheric implications
positively charged pre-nucleation clusters quantum-chemical study atmospheric implications
2009/6/22
The quantum-chemical treatment of pre-nucleation clusters consisting of atmospheric nucleation precursors is critically important for the understanding of the molecular nature of atmospheric nucleatio...
Sensitivity studies of the recent new data on O（1D）quantum yields in O3 Hartley band photolysis in the stratosphere
O（1D）quantum yields O3 Hartley band photolysis stratosphere
2009/3/11
The production yields of excited oxygen O(1D) atoms from the near ultraviolet O3 photolysis are essential quantities for atmospheric chemistry calculations because of its importance as major sources o...
Estimating the NH3:H2SO4 ratio of nucleating clusters in atmospheric conditions using quantum chemical methods
NH3:H2SO4 quantum chemical methods
2008/12/10
We study the ammonia addition reactions of H2SO4·NH3 molecular clusters containing up to four ammonia and two sulfuric acid molecules using the ab initio method RI-MP2 (Resolution of Identity 2nd orde...