Benchmarking of ONIOM method for the study of NH3 dissociation at open ends of BNNTs

Title
Benchmarking of ONIOM method for the study of NH3 dissociation at open ends of BNNTs
Authors
Keywords
-
Journal
JOURNAL OF MOLECULAR MODELING
Volume 18, Issue 5, Pages 1729-1734
Publisher
Springer Nature
Online
2011-08-11
DOI
10.1007/s00894-011-1202-5

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