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Bis[(dihydrogen pyrophosphatoκ-2 O,O′)(2,2′: 6′,2″-terpyridine-κ3 N,N′,N″)copper(II) ] 4.5-hydrate
(Wiley Blackwell Publishing, Inc, 2011-05)
The title copper complex, [Cu(H2P2O 7)(C15H11N3)]2·4. 5H2O, consists of two very similar independent Cu(Tpy)H 2P2O7 monomeric units (Tpy is 2,2′:6′,2″-terpyridine) plus four and a half water mol-ecules of hydration, some ...
(H 3N-BH 3) 4: The ammonia borane tetramer
(ROYAL SOC CHEMISTRY, 2012-01-01)
For this special edition of PCCP dealing with prediction of new molecules using quantum mechanical methods, we propose a structure for (H 3N-BH 3) 4, the isolated ammonia borane tetramer in gas phase, for which there are ...
Ab initio study of the structure, isotope effects, and vibrational properties in KDP crystals
(American Physical Society, 2018-09)
The lattice dynamics of potassium dihydrogen phosphate (KDP) and its deuterated analog DKDP was studied via first-principles DFT calculations. A thorough assessment of the quality of a wide range of functionals supplemented ...
Impact of traces of hydrogen sulfide on the efficiency of ziegler–natta catalyst on the final properties of polypropylene
(John Wiley & Sons Inc.United States, 2022)
Estudio comparativo de interacciones supramoleculares en sales cuaternarias de amonio y el complejo proteína-ligando con la enzima colina quinasa
(Facultad de Ciencias Exactas y NaturalesManizalesMaestría en Química, 2022)