Physical chemistry
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- Quantum-Classical Effective Fragment Potential Embedding for Condensed-Phase Quantum Chemistry
- Gas Separation by Sorption: A Statistical Thermodynamic Fluctuation Theory.
- Mechanistic Insights into Photo-Induced Bond Dissociation of a 2-(4-Nitrophenyl)-1H-indole-3-ylmethyl (NPIM) Derivative: A Case Study on Quantum Spin-Manipulation for Uncaging.
- MSIonization: A Machine Learning Tool for Ionization Mode Prediction of Small Molecules.
- Semiclassical Molecular Dynamics for Condensed Phase NMR Spectroscopy.
- Length-Dependent Behavior of Linear dsDNA in IP-RP-HPLC on Supermacroporous Polymer Resin.
- Quenching Kinetics of Triplet-State Photosensitizers in Environmental Photochemistry.
- Coarse-Grained Nonadiabatic Dynamics in Disordered Condensed Phases.
- Solvent-Controlled Product Branching in Riboflavin Uncovered by Time-Resolved Infrared and Transient Absorption Spectroscopy.
- Chemistry of Evaporating Charged Alcohol Microdroplets in Humid Environments.
- On-Slide Preparation of Caenorhabditis elegans toward Quantitative, High-Resolution LA-ICP-TOF Mass Spectrometry Imaging.
- The Vibrational Raman Optical Activity of β-Propiolactone Derivatives Computed with Coupled-Cluster Theory.
- Mapping the TCR-Peptide-HLA Interface through Hydrogen-Deuterium Exchange Mass Spectrometry.
- Integrating UHPLC-MS and MALDI-MSI for Spatial Nucleoside Profiling in FFPE Breast Cancer: A Multimodal Molecular Pathology Framework.
- A Residence-Time Approach for Determining Position-Dependent Diffusivities from Biased Molecular Simulations.
- The Rotational Spectrum of 2-Furanyloxy Radical.
- Photochemistry and Spectroscopy of 2- and 3-Benzo[b]thienyl Diazomethane.
- Cyclic Ion Mobility Separations of Free Oxylipins.
- Deep3DCCS: Geometry-Driven Collision Cross Section Prediction from Multi-View Molecular Projection Tensors.
- Precise Positional Readout of Molecular Barcode Structures using Solid-State Nanopores
- Three-Electrode TiO2 + rGO Cells: Classical Controls and Interpretation within a Quantum-Discord Framework
- Identification of Endonuclease G binding protein using a method which specifically isolates binding partners within subcellular compartments
- Background proteome correction promotes confident identification of dynamic protein-protein interactions between different biological contexts
- Enumerating Chemical Structures, Stereoisomers, and Stereogenic Units with Analytic Combinatorics
- Molecular Transferability of a Noble-Gas Coordinate for Electronegativity Equalization