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High performance collision cross section calculation-HPCCS

Published:2018-03-02 Issue:21 Volume:39 Page:1675-1681
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Zanotto Leandro¹,Heerdt Gabriel¹^ORCID,Souza Paulo C. T.¹²,Araujo Guido³,Skaf Munir S.¹^ORCID

Affiliation:

1. Institute of Chemistry and Center for Computational Engineering & Sciences; University of Campinas; Campinas São Paulo 13083-852 Brazil

2. Faculty of Mathematics and Natural Sciences, University of Groningen; Groningen 9747, AG The Netherlands

3. Institute of Computing and Center for Computational Engineering & Sciences; University of Campinas; Campinas São Paulo 13083-970 Brazil

Funder

Fundação de Amparo à Pesquisa do Estado de São Paulo

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.25199/fullpdf

Reference44 articles.

1. Reliability of ion mobility spectrometry for qualitative analysis of complex, multicomponent illicit drug samples

2. Improved analysis of explosives samples with electrospray ionization-high resolution ion mobility spectrometry (ESI-HRIMS)

3. Ion Mobility Spectrometry and Its Applications in Detection of Chemical Warfare Agents

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1. Ion-molecule collision cross-section calculations using trajectory parallelization in distributed systems;Journal of Parallel and Distributed Computing;2024-09

2. Studying the Intrinsic Reactivity of Chromanes by Gas-Phase Infrared Spectroscopy;Journal of the American Society for Mass Spectrometry;2024-07-01

3. Computational tools and algorithms for ion mobility spectrometry‐mass spectrometry;PROTEOMICS;2024-03-04

4. Accurate Prediction of Ion Mobility Collision Cross-Section Using Ion’s Polarizability and Molecular Mass with Limited Data;Journal of Chemical Information and Modeling;2024-02-23

5. Molecular Gas-Phase Conformational Ensembles;Journal of Chemical Information and Modeling;2024-01-11

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