Add to ORKGThe field of application of mass spectrometry (MS) has increased considerably due to the development of ionization techniques. Other factors that have stimulated the use of MS are the tandem mass spectrometry (MS/MS) and sequential mass spectrometry (MSn) techniques. However, the interpretation of the MS/MS and MSn data may lead to speculative conclusions. Thus, various quantum chemical methods have been applied for obtaining high quality thermochemical data in gas phase. In this review, we show some applications of computational quantum chemistry to understand the formation and fragmentation of gaseous ions of organic compounds in a MS analysis
Surface based mass spectrometric approaches fill an important niche in the mass analysis portfolio o...
We investigate the success of the quantum chemical electron impact mass spectrum (QCEIMS)method in p...
With the aim of developing a rapid and sensitive method for the relative molecular mass and the frag...
Compound identification by mass spectrometry needs reference mass spectra. While there are over 102 ...
We introduce a fully stand-alone version of the Quantum Chemistry Electron Ionization Mass Spectra (...
The field of application of mass spectrometry (MS) has increased considerably due to the development...
High-resolution electron ionization mass spectrometry (HR-[EI+]-MS) is a powerful technique that ena...
A primary goal of metabolomics studies is to fully characterize the small-molecule composition of co...
A primary goal of metabolomics studies is to fully characterize the small-molecule composition of co...
With computational chemistry, chemists can now study chemical phenomena by performing computationall...
# The Author(s) 2010. This article is published with open access at Springerlink.com Abstract The st...
Studies of gas phase ions generated by a variety of methods have made substantial contributions in b...
The major goal of this dissertation was to combine modern mass spectral techniques and advanced ab-i...
Differential mass spectrometry correlated with quantum chemical calculations (QCC-ΔMS) has been show...
This research has focused on two areas of interest in mass spectrometry. Beam-induced surface reacti...
Surface based mass spectrometric approaches fill an important niche in the mass analysis portfolio o...
We investigate the success of the quantum chemical electron impact mass spectrum (QCEIMS)method in p...
With the aim of developing a rapid and sensitive method for the relative molecular mass and the frag...
Compound identification by mass spectrometry needs reference mass spectra. While there are over 102 ...
We introduce a fully stand-alone version of the Quantum Chemistry Electron Ionization Mass Spectra (...
The field of application of mass spectrometry (MS) has increased considerably due to the development...
High-resolution electron ionization mass spectrometry (HR-[EI+]-MS) is a powerful technique that ena...
A primary goal of metabolomics studies is to fully characterize the small-molecule composition of co...
A primary goal of metabolomics studies is to fully characterize the small-molecule composition of co...
With computational chemistry, chemists can now study chemical phenomena by performing computationall...
# The Author(s) 2010. This article is published with open access at Springerlink.com Abstract The st...
Studies of gas phase ions generated by a variety of methods have made substantial contributions in b...
The major goal of this dissertation was to combine modern mass spectral techniques and advanced ab-i...
Differential mass spectrometry correlated with quantum chemical calculations (QCC-ΔMS) has been show...
This research has focused on two areas of interest in mass spectrometry. Beam-induced surface reacti...
Surface based mass spectrometric approaches fill an important niche in the mass analysis portfolio o...
We investigate the success of the quantum chemical electron impact mass spectrum (QCEIMS)method in p...
With the aim of developing a rapid and sensitive method for the relative molecular mass and the frag...