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Periodic DFT modeling of bulk and surface properties of MgCl2.
Credendino R, Busico V, Causà M, Barone V, Budzelaar PH, Zicovich-Wilson C. Credendino R, et al. Phys Chem Chem Phys. 2009 Aug 14;11(30):6525-32. doi: 10.1039/b905676a. Epub 2009 May 28. Phys Chem Chem Phys. 2009. PMID: 19809686
Role(s) of TMA in polymerization.
Ehm C, Cipullo R, Budzelaar PH, Busico V. Ehm C, et al. Dalton Trans. 2016 Apr 28;45(16):6847-55. doi: 10.1039/c5dt04895h. Dalton Trans. 2016. PMID: 26846331
Of Poisons and Antidotes in Polypropylene Catalysis.
Yu Y, Busico V, Budzelaar PH, Vittoria A, Cipullo R. Yu Y, et al. Angew Chem Int Ed Engl. 2016 Jul 18;55(30):8590-4. doi: 10.1002/anie.201602485. Epub 2016 May 31. Angew Chem Int Ed Engl. 2016. PMID: 27243600
An Integrated High Throughput Experimentation/Predictive QSAR Modeling Approach to ansa-Zirconocene Catalysts for Isotactic Polypropylene.
Ehm C, Vittoria A, Goryunov GP, Izmer VV, Kononovich DS, Samsonov OV, Di Girolamo R, Budzelaar PHM, Voskoboynikov AZ, Busico V, Uborsky DV, Cipullo R. Ehm C, et al. Among authors: budzelaar phm. Polymers (Basel). 2020 Apr 27;12(5):1005. doi: 10.3390/polym12051005. Polymers (Basel). 2020. PMID: 32349220 Free PMC article.
On the limits of tuning comonomer affinity of 'Spaleck-type'ansa-zirconocenes in ethene/1-hexene copolymerization: a high-throughput experimentation/QSAR approach.
Ehm C , Vittoria A , Goryunov GP , Izmer VV , Kononovich DS , Samsonov OV , Budzelaar PHM , Voskoboynikov AZ , Busico V , Uborsky DV , Cipullo R . Ehm C , et al. Among authors: budzelaar phm. Dalton Trans. 2020 Aug 7;49(29):10162-10172. doi: 10.1039/d0dt01967d. Epub 2020 Jul 14. Dalton Trans. 2020. PMID: 32662798
64 results