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Cover Image, Volume 117, Issue 10
Publication year - 2017
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.25254
Subject(s) - cover (algebra) , cellulose , citation , flexibility (engineering) , polymer science , hydrogen bond , volume (thermodynamics) , computer science , chemistry , mathematics , library science , organic chemistry , physics , engineering , thermodynamics , molecule , mechanical engineering , statistics
Cotton is a cellulose‐based material and is an important commodity that has been used to make paper, textiles and many other products. Cellulose provides cotton‐based products, as well as other products of natural cellulose‐based materials, flexibility, strength and functionality. Complex networks of hydrogen bonds within cellulose I α and I β contribute to cellulose's anisotropic physical properties. This study investigates these inter‐chain hydrogen bonding interactions through hydroxyl groups, using density functional theory. (DOI: 10.1002/qua.25357 ).