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The S–H⋯N versus O–H⋯N hydrogen bonding in the ammonia complexes with CH3OH and CH3SH

✍ Scribed by Katarzyna Grzechnik; Konstanty Rutkowski; Zofia Mielke


Book ID
113806163
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
453 KB
Volume
1009
Category
Article
ISSN
0022-2860

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