Development of the ReaxFF reactive force field for mechanistic studies of catalytic selective oxidation processes on BiMoO x-Reference-Cited by-同舟云学术

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Development of the ReaxFF reactive force field for mechanistic studies of catalytic selective oxidation processes on BiMoO x

Published:2006-07 Issue:1-3 Volume:38 Page:
ISSN:1022-5528
Container-title:Topics in Catalysis
language:en
Short-container-title:Top Catal

Author:

Goddard William A.,van Duin Adri,Chenoweth Kimberly,Cheng Mu-Jeng,Pudar Sanja,Oxgaard Jonas,Merinov Boris,Jang Yun Hee,Persson Petter

Publisher

Springer Science and Business Media LLC

Subject

General Chemistry,Catalysis

Link

http://link.springer.com/content/pdf/10.1007/s11244-006-0074-x.pdf

Reference41 articles.

1. Advances and future trends in selective oxidation and ammoxidation catalysis

2. Selective oxidation and ammoxidation of olefins by heterogeneous catalysis

3. T. Ushikubo, et al., Process for Producing Nitriles Mitsubishi Kasei Corporation (1994) US Patent # 5,281,745

4. ReaxFF: A Reactive Force Field for Hydrocarbons

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