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Cover Image, Volume 40, Issue 26
Publication year - 2019
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.25505
Subject(s) - cover (algebra) , citation , computer science , web page , volume (thermodynamics) , code (set theory) , image (mathematics) , information retrieval , world wide web , computer graphics (images) , artificial intelligence , physics , engineering , programming language , mechanical engineering , set (abstract data type) , quantum mechanics
CRYSPLOT is a web‐based graphical tool used to visualize physical and chemical properties of periodic systems. Through its web page, users can easily plot different properties as band structure, density of states, electron charge density maps, simulated IR/Raman spectra, and as computed with the CRYSTAL code. The article by G. Beata, G. Perego and B. Civalleri on page 2329 describes what it does and how it works, with selected applications taken from the study of metal‐organic frameworks. DOI: 10.1002/jcc.25858