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Based on the isolobal analogy of ZnCp (Cp = η5-C5H5) and ZnR (R = alkyl or aryl group) fragments with hydrogen atom and fragment [Zn(CO)2] with a CH2 carbene, the following complexes [(ZnCp)2{µ-Zn(CO)2}], 1, [(ZnPh)2{µ-Zn(CO)2}], 2, [(ZnPh){µ-Zn(
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______3272::c87093ad69cdeed988f21571da315c38
Publikováno v:
idUS. Depósito de Investigación de la Universidad de Sevilla
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A theoretical investigation related to the different stability of HKUST-1 in water and ethanol is carried out. We present a comparative quantum mechanical study of the accuracy of different DFT approaches and basis sets versus MP2 and experimental ev
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::1669f7466e8fd78f274b5a006c159bbb
Autor:
Segovia Brome, Rafael Manuel
Publikováno v:
idUS. Depósito de Investigación de la Universidad de Sevilla
instname
instname
Universidad de Sevilla. Doble Grado en Física e Ingeniería de Materiales
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::99c285f04752a07e0c3886bbf193197f