Shape, electronic structure and steric effects of organometallic nanocatalysts: relevant tools to improve the synergy between theory and experiment
Keyword(s):
An integrated package that uses structural, first principles and thermodynamic approaches is expected to play a significant role in advancing our knowledge of nanocatalysts.
Electronic Structure and X-ray Absorption Spectra of Rutile TiO2 Using First-Principles Calculations
2014 ◽
Vol 52
(12)
◽
pp. 1025-1029
Keyword(s):
X Ray
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2012 ◽
Vol 54
◽
pp. 287-292
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2019 ◽
Vol 7
(9)
◽
pp. 4971-4976
◽
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