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Calibration sets and the accuracy of vibrational scaling factors: case study with the X3LYP hybrid functional

Title
Calibration sets and the accuracy of vibrational scaling factors: case study with the X3LYP hybrid functional
Type
Article in International Scientific Journal
Year
2010
Authors
Filipe Teixeira
(Author)
FCUP
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André Melo
(Author)
FCUP
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M. Natália D. S. Cordeiro
(Author)
FCUP
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Journal
Vol. 133
Pages: 114109-1-114109-7
ISSN: 0021-9606
Scientific classification
FOS: Engineering and technology > Chemical engineering
Other information
Language: English
Type (Professor's evaluation): Scientific
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