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Inorganic Double‐Helix Structures of Unusually Simple Lithium–Phosphorus Species
Author(s) -
Ivanov Alexander S.,
Morris Andrew J.,
Bozhenko Konstantin V.,
Pickard Chris J.,
Boldyrev Alexander I.
Publication year - 2012
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201201843
Subject(s) - lithium (medication) , helix (gastropod) , stoichiometry , crystallography , simple (philosophy) , phosphorus , chemistry , quantum chemical , molecule , biology , ecology , organic chemistry , snail , endocrinology , philosophy , epistemology
Theoretical evidence : The existence of inorganic double‐helix structures at the atomic level is theoretically predicted. An unbiased quantum‐chemical search for the global minimum structures of Li x P x ( x =5–9) species is performed. For the Li 7 P 7 –Li 9 P 9 stoichiometries the global minimum structure has a peculiar double‐helix form.