Application of molecular dynamics simulation to improve the theoretical prediction for collisional cross section of aromatic compounds with long alkyl chains in crude oils
出版年份 2019 全文链接
标题
Application of molecular dynamics simulation to improve the theoretical prediction for collisional cross section of aromatic compounds with long alkyl chains in crude oils
作者
关键词
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出版物
RAPID COMMUNICATIONS IN MASS SPECTROMETRY
Volume 33, Issue 7, Pages 650-656
出版商
Wiley
发表日期
2019-02-02
DOI
10.1002/rcm.8400
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- (2016) Samuel J. Allen et al. ANALYST
- Increasing Polyaromatic Hydrocarbon (PAH) Molecular Coverage during Fossil Oil Analysis by Combining Gas Chromatography and Atmospheric-Pressure Laser Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS)
- (2016) Paolo Benigni et al. ENERGY & FUELS
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- (2016) Shun Sakuraba et al. JOURNAL OF CHEMICAL PHYSICS
- Molecular-level evidence provided by ultrahigh resolution mass spectrometry for oil-derived doc in groundwater at Bemidji, Minnesota
- (2016) Ananna Islam et al. JOURNAL OF HAZARDOUS MATERIALS
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- (2015) Mohsen Kheirodin et al. NANO
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- (2014) Arif Ahmed et al. ANALYTICAL CHEMISTRY
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- (2013) Arif Ahmed et al. JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
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- (2012) Yunju Cho et al. ANALYTICAL CHEMISTRY
- Determination of Structural Building Blocks in Heavy Petroleum Systems by Collision-Induced Dissociation Fourier Transform Ion Cyclotron Resonance Mass Spectrometry
- (2012) Kuangnan Qian et al. ANALYTICAL CHEMISTRY
- Characterization and Comparison of Nitrogen Compounds in Hydrotreated and Untreated Shale Oil by Electrospray Ionization (ESI) Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS)
- (2012) Xiaobo Chen et al. ENERGY & FUELS
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- (2012) Yunju Cho et al. ENERGY & FUELS
- Heavy Petroleum Composition. 5. Compositional and Structural Continuum of Petroleum Revealed
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- Charge-State Dependent Compaction and Dissociation of Protein Complexes: Insights from Ion Mobility and Molecular Dynamics
- (2012) Zoe Hall et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
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