Hydrogen bonding motif in 2-hydroxy-1,4-naphthoquinone

Theoretical Chemistry Accounts

Volumn 113, Issue 3, 2005, Pages 161-166

  Dhumal, Nilesh R ^a   Todkary, Ashwini V ^a   Rane, Sandhya Y ^a   Gejji, Shridhar P ^b  

^a UNIVERSITY OF PUNE   (India)

^b NONE

Author keywords

Charge percolation; H bonding; Hartree Fock; Lawsone

Indexed keywords

LAWSONE;

AB INITIO CALCULATION; ARTICLE; CONFORMATION; ENERGY TRANSFER; HYDROGEN BOND; MOLECULE; THEORETICAL MODEL; TOPOGRAPHY;

EID: 17744376464     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-004-0620-1     Document Type: Article

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