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Cover Image, Volume 39, Issue 27
Publication year - 2018
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.25031
Subject(s) - cover (algebra) , computer science , citation , volume (thermodynamics) , information retrieval , software , theoretical computer science , data science , library science , physics , quantum mechanics , programming language , engineering , mechanical engineering
Relativistic effects play important roles in many chemical phenomena. On page 2333, Hiromi Nakai and colleagues discuss the theories and capabilities of a newly developed software package called the relativistic and quantum electronic structure theory (RAQET). Some illustrative calculations of the systems, such as transition‐metal complexes and heavy‐metal clusters are mentioned, in addition to the implemented methodologies. (DOI: 10.1002/jcc.25364 )