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An empirical approach to the nucleation of sulfuric acid droplets in the atmosphere
nucleation Gibbs energy aerosol microphysics
2015/9/16
We use quantum mechanical evaluations of the Gibbs free energy of the hydrates of sulfuric acid, H2SO4. nH2O and (H2SO4)2
. nH2O to evaluate an empirical surface tension for sulfuric acid-water clust...
An efficient and green approach for the synthesis of vinyl aryl ethers in the presence of guanidine hydrochloride
Guanidine hydrochloride dialkyl acetylenedicarboxylates vinyl aryl ether O-vinylation water solvent
2010/12/20
A stereoselective procedure for vinyl aryl ether bond formation by direct coupling of dialkyl acetylenedicarboxylates and substituted phenols or naphthols under mild reaction conditions has been devel...
A general parallelization approach to improve computation efficiency in a global chemical transport model (GEOS-Chem)
MPI OpenMP parallelization GEOS-Chem modeling performance
2017/8/9
Despite increasing processing power of systems, sequential programs have limitations to achieve corresponding performance gains. Parallelization of sequential programs can exploit the computation pote...
A New Approach to the Calculation of N-15 Chemical Shifts of Cyclic Compounds
N-15 chemical shift Additive parameters Regression analysis
2010/4/16
Two sets of additive parameters used previously for the calculation of C-13 chemical shifts of mono and poly six-membered cycloalkanes were applied for the prediction of N-15 chemical shifts of some m...
