Combining density functional theory (DFT) and collision cross-section (CCS) calculations to analyze the gas-phase behaviour of small molecules and their protonation site isomers.
about
Characterization of chiral amino acids from different milk origins using ultra-performance liquid chromatography coupled to ion-mobility mass spectrometry.Molecular Structures and Momentum Transfer Cross Sections: The Influence of the Analyte Charge Distribution.Automated and efficient quantum chemical determination and energetic ranking of molecular protonation sites.The impact of environment and resonance effects on the site of protonation of aminobenzoic acid derivatives.Experiment and theory confirm that UV laser photodissociation spectroscopy can distinguish protomers formed via electrospray.A tutorial in small molecule identification via electrospray ionization-mass spectrometry: The practical art of structural elucidation.Collision cross sections and ion structures: development of a general calculation method via high-quality ion mobility measurements and theoretical modeling.Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics
P2860
Q37743184-97D04915-79A1-4C28-B27B-808602EED84EQ38934268-45EEB027-5EDE-4F3E-9FDC-A9A5612AEA21Q46313384-1CA37B1F-89BD-40AD-9336-1B772AF9267DQ46339296-67AF98B6-9463-4DA5-BAAA-483726C8332AQ46344505-25868EB3-ABA3-4366-A244-CE3079653B81Q47614283-DB49EF41-7E30-496F-81C1-AD2174D1E46BQ47789274-18127E36-0986-4540-896F-1825BAB2C1CCQ56889965-4359FD7D-7CE0-4950-BD4F-232DEC817083
P2860
Combining density functional theory (DFT) and collision cross-section (CCS) calculations to analyze the gas-phase behaviour of small molecules and their protonation site isomers.
description
2016 nî lūn-bûn
@nan
2016年の論文
@ja
2016年学术文章
@wuu
2016年学术文章
@zh-cn
2016年学术文章
@zh-hans
2016年学术文章
@zh-my
2016年学术文章
@zh-sg
2016年學術文章
@yue
2016年學術文章
@zh
2016年學術文章
@zh-hant
name
Combining density functional t ...... heir protonation site isomers.
@en
Combining density functional theory
@nl
type
label
Combining density functional t ...... heir protonation site isomers.
@en
Combining density functional theory
@nl
prefLabel
Combining density functional t ...... heir protonation site isomers.
@en
Combining density functional theory
@nl
P2093
P2860
P356
P6366
P1154
2-s2.0-84976361843
P1433
P1476
Combining density functional t ...... heir protonation site isomers.
@en
P2093
Cris Lapthorn
Filip Lemière
Jasper Boschmans
Jonathan P Williams
Keith Richardson
Kevin Giles
Martin Palmer
Sam Jacobs
Wouter A Herrebout
P2860
P304
P356
10.1039/C5AN02456K
P50
P577
2016-06-06T00:00:00Z
P6366
2416898741