Intermolecular interactions and electrostatic properties of the β-hydroquinone apohost: Implications for supramolecular chemistry

Journal of Physical Chemistry A

Volumn 115, Issue 45, 2011, Pages 12962-12972

  Clausen, Henrik F ^a   Chen, Yu Sheng ^b   Jayatilaka, Dylan ^c   Overgaard, Jacob ^a   Koutsantonis, George A ^c   Spackman, Mark A ^c   Iversen, Bo B ^a  

^a AARHUS UNIVERSITY   (Denmark)

^b ARGONNE NATIONAL LABORATORY   (United States)

^c UNIVERSITY OF WESTERN AUSTRALIA   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

CLATHRATES; CRYSTAL FIELDS; ELECTROSTATIC POTENTIALS; ELECTROSTATIC PROPERTIES; EXPERIMENTAL ELECTRON DENSITY; GUEST MOLECULES; HYDROGEN ATOMS; INTERACTION ENERGIES; INTERMOLECULAR INTERACTIONS; MOLECULAR CAVITY; MULTIPOLES; OXYGEN ATOM; POLAR MOLECULES; SYNCHROTRON X RAY DIFFRACTION; THEORETICAL MODELS; THERMAL PARAMETERS;

ATOMS; CARRIER CONCENTRATION; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTRIC FIELDS; ELECTRON DENSITY MEASUREMENT; HYDRATES; HYDROGEN; ION EXCHANGE; KETONES; MOLECULES; PHENOLS; SUPRAMOLECULAR CHEMISTRY; SURFACE ANALYSIS; X RAY DIFFRACTION;

CRYSTAL STRUCTURE;

HYDROQUINONE; HYDROQUINONE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; MACROMOLECULE; POWDER DIFFRACTION; QUANTUM THEORY; STATIC ELECTRICITY; SYNTHESIS;

HYDROQUINONES; MACROMOLECULAR SUBSTANCES; MODELS, MOLECULAR; POWDER DIFFRACTION; QUANTUM THEORY; STATIC ELECTRICITY;

EID: 80855140370     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp2041789     Document Type: Article

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