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Cover Image, Volume 115, Issue 3
Publication year - 2015
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.24850
Subject(s) - cover (algebra) , citation , computer science , quantum chemical , volume (thermodynamics) , reactivity (psychology) , information retrieval , chemistry , library science , molecule , physics , organic chemistry , quantum mechanics , engineering , mechanical engineering , medicine , alternative medicine , pathology
Since about two decades, quantum chemistry has found its way into industrial research. For example, it is now used as a tool to answer questions about chemical reactivity, support characterization, or understand and predict the properties of molecules in their excited states. In this article, BASF researchers Peter Deglmann, Ansgar Schäfer, and Christian Lennartz (DOI: 10.1002/qua.24811 ) review the application of quantum chemical modeling in the chemical industry.