𝔖 Bobbio Scriptorium
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Detailed Study of the Water Trimer Potential Energy Surface

✍ Scribed by Fowler, Joseph E.; Schaefer, Henry F. III


Book ID
127273902
Publisher
American Chemical Society
Year
1995
Tongue
English
Weight
841 KB
Volume
117
Category
Article
ISSN
0002-7863

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