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- Simulation of Shielding Performance of Ta-10W Alloy and Lead in CT Lateral Scattered Radiation Fields
- Characterization of Acidic Water from the Former Coal Mine of PT Mifa Bersaudara in West Aceh
- Subpercent accuracy in molecular electric quadrupole coupling: nuclear-size and relativistic effects in RaF
- RPAx Instabilities from Ground- and Excited-State References
- Rotational-state-controlled dissociative ionization dynamics in CF2I2
- An Ab Initio Quantum-Chemistry-Based Three-Temperature Approach for Non-Equilibrium Hypersonic Flows: Application to Homogeneous 0-D Chemical Systems
- Lanthanide Crystal Field Theory in the J-Mixing Regime: fn Configurations
- Pulsed Laser Deposition of Ferroelectric SrTiO3 Shells Enables Polarization-Controlled Charge Separation in TiO2 Photoanode
- A Density-Matrix Formulation of Vibrational Circular Dichroism Spectra for Møller-Plesset and Configuration Interaction Methods
- State-specific perturbation theory for configuration interaction singles: Theoretical analysis, benchmarks, and improvement with size-intensive level shifts
- Preparing State-Selected Molecular Beams with high Efficiency using Quantum Cascade Lasers
- Why Emission Spectral Profile of Diverse Fluoro-phores Look Alike with Thick Polymer Overlayers?
- Low-variance estimators for nuclear quantum mean forces
- Hierarchical Response Theory of Electronegativity from Atomic Mean Inner Potential
- SU(2)-Equivariant Spinor Message Passing for Molecular Magnetism
- Attosecond Charge Migration Induced by Core-Level Ionization: A Relativistic Real-Time Time-Dependent Density Functional Theory Perspective
- Parity-equivariant prediction of conformer-resolved electronic circular dichroism spectra accelerates absolute configuration assignment
- Interference between multiple photoionization pathways in chiral molecules: Converging continuum results in Gaussian bases
- Full-data accuracy with fewer labels for training and fine-tuning machine-learning force fields
- CrystalREPA: Transferring Physical Priors from Universal MLIPs to Crystal Generative Models
- Discovering and designing multistate protein assemblies
- Understanding phenolic transfer from NADES to PHBV for solvent recycling: role of solvation and partitioning.
- Enhanced methane dry reforming using Ni-Co bimetallic catalysts supported on lanthanum-zirconia.
- Greener deprotection pathways: microwave assisted aqueous deprotection of N-Boc amines.
- Engineering a GO-Gd₂TiO₅/g-C₃N₄ ternary nanocomposite for enhanced electrochemical performance and biodiesel catalysis.