A density functional study on hydrated clusters of orthoboric acid, B(OH) 3(H 2O) n (n=1-5)

Journal of Molecular Structure: THEOCHEM

Volumn 710, Issue 1-3, 2004, Pages 139-150

  Tachikawa, Masanori ^a,b  

^a YOKOHAMA CITY UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

DFT; Free energy; Hydrated clusters of the orthoboric acid molecule; Hydrogen bonding; Weak acidity

Indexed keywords

BORIC ACID; PROTON;

ACIDITY; ARTICLE; CALCULATION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY; GEOMETRY; HYDROGEN BOND; INFRARED RADIATION; MOLECULE;

EID: 9644302553     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.09.008     Document Type: Article

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