Produção Nacional
Collision Cross Section Calculations Using HPCCS
2019; Springer Science+Business Media; Linguagem: Inglês
10.1007/978-1-0716-0030-6_19
ISSN1940-6029
AutoresGabriel Heerdt, Leandro N. Zanotto, Paulo C. T. Souza, Guido Araújo, Munir S. Skaf,
Tópico(s)Pesticide Residue Analysis and Safety
ResumoA technical overview of the High Performance Collision Cross Section (HPCCS) software for accurate and efficient calculations of collision cross sections for molecular ions ranging from small organic molecules to large protein complexes is presented. The program uses helium or nitrogen as buffer gas with considerable gains in computer time compared to publicly available codes under the Trajectory Method approximation. HPCCS is freely available under the Academic Use License at https://github.com/cepid-cces/hpccs .
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