☆ 4.8 Article

Towards First Principles Calculation of Electron Impact Mass Spectra of Molecules

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)

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Journal

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volume 52, Issue 24, Pages 6306-6312

Publisher

WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201300158

Keywords

density functional theory; mass spectrometry; molecular dynamics; reaction kinetics; semiempirical MO methods

Categories

Chemistry, Multidisciplinary

Funding

  1. Fonds der Chemischen Industrie
  2. DFG [SFB 813]

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