Towards first principles calculation of electron impact mass spectra of molecules.

LipidBlast templates as flexible tools for creating new in-silico tandem mass spectral libraries. Anal Chem (2014) 0.92

Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Benchmarks for Ground-State Properties. J Chem Theory Comput (2016) 0.81

Interstitial Cystitis-Associated Urinary Metabolites Identified by Mass-Spectrometry Based Metabolomics Analysis. Sci Rep (2016) 0.75

Quantum chemical calculation of electron ionization mass spectra for general organic and inorganic molecules. Chem Sci (2017) 0.75