@inproceedings{df9c15c7264c4de8b2ed7822c4d75a46,
title = "Platinum catalyzed C-H activation: Insight from DFT and ReaxFF",
abstract = "The most successful catalytic system for selective direct conversion of methane to methanol to date is the one by Catalytica. It uses a platinum catalyst in concentrated sulfuric acid. Theoretical results provide insight into the multiple roles of the acid in the methane coordination, the product protection, and the oxidation of the platinum center. Further we present results from the development of a reactive force field ReaxFF for homogeneous platinum catalysts.",
author = "M{\aa}rten Ahlquist and Goddard, \{William A.\}",
year = "2009",
month = dec,
day = "1",
language = "English",
isbn = "9780841224414",
series = "ACS National Meeting Book of Abstracts",
booktitle = "American Chemical Society - 237th National Meeting and Exposition, ACS 2009, Abstracts of Scientific Papers",
note = "237th National Meeting and Exposition of the American Chemical Society, ACS 2009 ; Conference date: 22-03-2009 Through 26-03-2009",
}