OCTOBER 18, 2022 Journal Article Water defect stabilizes Bi3+ lone-pair electronic state leading to an unusual aqueous hydration structure ( Read More )
OCTOBER 14, 2022 Journal Article Structure of Gas Phase Monohydrated Nicotine: Implications for Nicotine’s Native Structure in the Acetylcholine Binding Protein ( Read More )
OCTOBER 13, 2022 Journal Article Determining Overpotentials for the Oxidation of Alcohols by Molecular Electrocatalysts in Non-aqueous Solvents ( Read More )
OCTOBER 13, 2022 Conference Paper Foundation Models of Scientific Knowledge for Chemistry: Opportunities, Challenges and Lessons Learned ( Read More )
OCTOBER 11, 2022 Journal Article Reduction of detection limit and quantification uncertainty due to interferent by neural classification with abstention ( Read More )
OCTOBER 7, 2022 Journal Article Preparation and characterization of model homotopic catalysts: Rh adatoms, nanoparticles, and mixed oxide surfaces on Fe3O4(001) ( Read More )
OCTOBER 6, 2022 Journal Article Hydrogen Bond Arrangements in (H2O)20, 24, 28 Clathrate Hydrate Cages: Optimization and Many-Body Analysis ( Read More )
SEPTEMBER 30, 2022 Journal Article Influence of Intermolecular Interactions on the Infrared Complex Index of Refraction for Binary Liquid Mixtures ( Read More )
SEPTEMBER 28, 2022 Journal Article The Many-Body Expansion for Metals I: The Alkaline Earth metals Be, Mg, and Ca ( Read More )
SEPTEMBER 28, 2022 Journal Article Actinides in Complex Reactive Media: A Combined Ab Initio Molecular Dynamics and Machine Learning Analytics Study of Transuranic Ions in Molten Salts ( Read More )
SEPTEMBER 24, 2022 Journal Article Identification of the mechanism of NO reduction with ammonia (SCR) on zeolite catalysts ( Read More )
SEPTEMBER 24, 2022 Journal Article Unraveling hydridic-to-protonic dihydrogen bond predominance in monohydrated dodecaborate clusters ( Read More )
SEPTEMBER 21, 2022 Journal Article Weakening the N-H Bonds of NH3 Ligands: Triple Hydrogen-Atom Abstraction to form a Chromium(V) Nitride ( Read More )
SEPTEMBER 21, 2022 Journal Article Solvent-Induced Selectivity of Isoprene from Bio-Derived Prenol ( Read More )
SEPTEMBER 21, 2022 Journal Article Gas-phase ion-molecule interactions in a collision reaction cell with ICP-MS/MS: Investigations with CO2 as the reaction gas ( Read More )
SEPTEMBER 21, 2022 Journal Article Evaluating Performance of Different Generative Adversarial Networks for Large-Scale Building Power Demand Prediction ( Read More )
SEPTEMBER 21, 2022 Journal Article Preparing for the next pandemic via transfer learning from existing diseases with hierarchical multi-modal BERT: a study on COVID-19 outcome prediction ( Read More )
SEPTEMBER 21, 2022 Journal Article Highly Stable and Tunable Peptoid/Hemin Enzymatic Mimetics with Natural Peroxidase-Like Activities ( Read More )
SEPTEMBER 21, 2022 Journal Article Important role of stratospheric injection height for the distribution and radiative forcing of smoke aerosol from the 2019/2020 Australian wildfires ( Read More )