JANUARY 18, 2025 Report Computational Methods for Modeling Electrospray Microdroplet Chemistry for Improved Quantitative Mass Spectrometry ( Read More )
JANUARY 15, 2025 Journal Article WFOT: a Wave Function Overlap Tool Between Single- and Multi-Reference Electronic Structure Methods for spectroscopy Simulation ( Read More )
JANUARY 7, 2025 Journal Article Tunable Localized Charge Transfer Excitons in Nanoplatelet-2D chalcogenide van der Waals Heterostructures ( Read More )
DECEMBER 26, 2024 Journal Article pyMS-Vis, an Open-Source Python Application for Visualizing and Investigating Deconvoluted Top-Down Mass Spectrometric Experiments: A Histone Proteoform Case Study ( Read More )
DECEMBER 24, 2024 Journal Article Smaller is better: The case for lower-order iodoplumbate species dominating MAPbI3/dimethylformamide solutions ( Read More )
DECEMBER 24, 2024 Journal Article Crystallization and Assembly at Interfaces: Celebrating the Achievements of a Vibrant Research Community ( Read More )
DECEMBER 20, 2024 Journal Article A comprehensive study on three typical photoacid generators using photoelectron spectroscopy and ab initio calculations ( Read More )
DECEMBER 19, 2024 Journal Article Probing the Electronic Structure of [B10H10]2- Dianion Encapsulated by an Octamethylcalix[4]pyrrole Molecule ( Read More )
DECEMBER 19, 2024 Journal Article Photodetachment photoelectron spectroscopy shows isomer-specific proton-coupled electron transfer reactions in phenolic nitrate complexes ( Read More )
DECEMBER 14, 2024 Journal Article Mass spectrometry-based proteogenomics: New therapeutic opportunities for precision medicine ( Read More )
DECEMBER 13, 2024 Journal Article RhizoMAP: a comprehensive, nondestructive, and sensitive platform for metabolic imaging of the rhizosphere ( Read More )
DECEMBER 12, 2024 Journal Article Molecular Understanding of Nitrogen Oxide Fixation of Water-Lean Carbon Capture Solvents by Atomistic Modeling ( Read More )
DECEMBER 12, 2024 Journal Article Exploring Ion Mobility Mass Spectrometry Data File Conversions to Leverage Existing Tools and Enable New Workflows ( Read More )
DECEMBER 11, 2024 Journal Article Round-robin analysis of highly depleted lithium for Generation IV nuclear reactor applications ( Read More )
DECEMBER 10, 2024 Journal Article PeakQC: A Software Tool for Omics-Agnostic Automated Quality Control of Mass Spectrometry Data ( Read More )
NOVEMBER 21, 2024 Report Statistically-driven Experimental Design to Improve Reference-free Quantification of Small Molecules by Liquid Chromatography-Mass Spectrometry ( Read More )
NOVEMBER 21, 2024 Report Molecular Vision - Multimodal, multitask retrieval of molecular structure from measured signatures for reference-free compound identification ( Read More )
NOVEMBER 21, 2024 Journal Article A deep learning-guided automated workflow in LipidOz for detailed characterization of fungal fatty acid unsaturation by ozonolysis ( Read More )
NOVEMBER 20, 2024 Journal Article Uranium isotopic analysis in unpurified solutions by ICP-MS ( Read More )
NOVEMBER 18, 2024 Journal Article Spin-orbit coupling in molecular complexes beyond the van der Waals regime: Key factors for further splitting of the 2P3/2 ground state ( Read More )