OCTOBER 17, 2024 Journal Article Advancing the Prediction of MS/MS Spectra using Machine Learning ( Read More )
OCTOBER 8, 2024 Journal Article An outbreak of renal failure in asian dogs due to s-triazine adulteration of pet food raw material: Analysis of unique, green kidney stones formed as a result ( Read More )
OCTOBER 8, 2024 Journal Article High-Resolution Mass Spectrometry for Human Exposomics: Expanding Chemical Space Coverage ( Read More )
OCTOBER 8, 2024 Journal Article Improved characterization of soil organic matter by integrating FT-ICR MS, liquid chromatography tandem mass spectrometry and molecular networking: a case study of root litter decay under drought conditions ( Read More )
SEPTEMBER 27, 2024 Journal Article Experimental and Computational Study of Pyrogenic Carbonaceous Matter Facilitated Hydrolysis of 2,4- Dinitroanisole (DNAN) ( Read More )
SEPTEMBER 19, 2024 Journal Article Exploiting a derivative discontinuity estimate for accurate G0W0 ionization potentials and electron affinities ( Read More )
SEPTEMBER 19, 2024 Journal Article IsoForma: An R Package for Quantifying and Visualizing Positional Isomers in Top-Down LC-MS/MS Data ( Read More )
SEPTEMBER 19, 2024 Journal Article QC-GN2oMS2: a Graph Neural Net for High Resolution Mass Spectra Prediction ( Read More )
AUGUST 2, 2024 Journal Article Accelerating Computational Materials Discovery with Machine Learning and Cloud High-Performance Computing: from Large-Scale Screening to Experimental Validation ( Read More )
AUGUST 2, 2024 Journal Article Sources of Li Isotope Bias During SIMS Analysis of Standard Glasses ( Read More )
AUGUST 2, 2024 Journal Article Leveraging Curvature on N-Doped Carbon Materials for Hydrogen Storage ( Read More )
JULY 31, 2024 Journal Article DEIMoS GUI: An Open-Source User Interface for a High-Dimensional Mass Spectrometry Data Processing Tool ( Read More )
JULY 31, 2024 Journal Article Additive Molar Volumes in Amorphous Ca/Sr Carbonate Solid Solutions ( Read More )
JULY 31, 2024 Journal Article Computational tools and algorithms for ion mobility spectrometry-mass spectrometry ( Read More )
JULY 26, 2024 Journal Article Top-down mass spectrometry of native proteoforms and their complexes: A community study ( Read More )
JULY 26, 2024 Journal Article Assessing gas-phase ion reactivity of 50 elements with NO and the direct application for 239Pu in complex matrices using ICP-MS/MS ( Read More )
JULY 26, 2024 Journal Article Role of Surface Features on the Initial Dissolution of CH3NH3PbI3 Perovskite in Liquid Water: An Ab Initio Molecular Dynamics Study ( Read More )
JULY 26, 2024 Journal Article Atomistic Simulations for Investigation of Substrate and Salt Effects on Lipid In-Source Fragmentation in Secondary Ion Mass Spectrometry: A Follow-Up Study ( Read More )