@inbook{9fba8a88ebaa400e95657737c22608a7,
title = "Mechanisms for heterogeneous catalysis",
abstract = "The Goddard group was the first to apply ab initio QM to determining the mechanisms of complex heterogeneous catalysts. Particular emphasis has been on activation of propane, propene, and butane also ammoxiation to acrylonitral and N2 reducton to NH3. Since then we have used QM to discover the reaction mechanisms for many practical heterogeneous catalysts for butane to maleic anhydride, ammoxidation, and N2 reduction (Haber Bosch).",
author = "Goddard, \{William A.\}",
note = "Publisher Copyright: {\textcopyright} Springer Nature Switzerland AG 2021.",
year = "2021",
month = jan,
day = "1",
doi = "10.1007/978-3-030-18778-1\_63",
language = "English",
series = "Springer Series in Materials Science",
publisher = "Springer Science and Business Media Deutschland GmbH",
pages = "1235--1248",
booktitle = "Springer Series in Materials Science",
}