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Automated Chemical Kinetic Modeling via Hybrid Reactive Molecular Dynamics and Quantum Chemistry Simulations

Year of publication

2018

Authors

Döntgen, Malte; Schmalz, Felix; Kopp, Wassja A.; Kröger, Leif C.; Leonhard, Kai

Organizations and authors

University of Helsinki

Döntgen Malte

Publication type

Publication format

Article

Parent publication type

Journal

Article type

Original article

Audience

Scientific

Peer-reviewed

Peer-Reviewed

MINEDU's publication type classification code

A1 Journal article (refereed), original research

Publication channel information

Journal

Journal of Chemical Information and Modeling

Parent publication name

Journal of Chemical Information and Modeling

Volume

58

Issue

7

Pages

1343-1355

ISSN

1549-9596

​Publication forum

59845

​Publication forum level

1

Open access

Open access in the publisher’s service

No

Self-archived

No

Other information

Fields of science

Chemical sciences

Keywords

[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]

Publication country

United States

Internationality of the publisher

International

Language

English

International co-publication

Yes

Co-publication with a company

No

DOI

10.1021/acs.jcim.8b00078

The publication is included in the Ministry of Education and Culture’s Publication data collection

Yes