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Cover Image, Volume 35, Issue 5
Publication year - 2014
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.23529
Subject(s) - cover (algebra) , multipole expansion , atom (system on chip) , volume (thermodynamics) , citation , image (mathematics) , covering space , computer science , physics , combinatorics , crystallography , geometry , mathematics , chemistry , quantum mechanics , library science , artificial intelligence , mechanical engineering , embedded system , engineering
Quantum topological atoms in the protein crambin provide atomic multipole moments to realize more accurate electrostatics, as shown by Yongna Yuan, Matthew Mills, and Paul Popelier on page 343 . These atoms do not overlap; they have finite volumes and shapes that are primarily determined by the local environment. The cover, designed by Tim Hughes, shows critical points of the type (3,−1) (small purple spheres), marking special atom–atom interactions with their associated atomic interaction lines (solid and dashed).