Saved in:
| Main Authors: | Guinness, A, Beaton, AA, Franck, JM |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2403.03943 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Rapidly Screening the Correlation Between the Rotational Mobility and the Hydrogen Bonding Strength of Confined Water
by: Beaton, Alec A., et al.
Published: (2023)
by: Beaton, Alec A., et al.
Published: (2023)
NMR crystallography reveals carbonate induced Al-ordering in ZnAl layered double hydroxide
by: Radhakrishnan, Sambhu, et al.
Published: (2021)
by: Radhakrishnan, Sambhu, et al.
Published: (2021)
Microstructural Geometry Revealed by NMR Lineshape Analysis
by: Niknam, Mohamad, et al.
Published: (2024)
by: Niknam, Mohamad, et al.
Published: (2024)
Prediction of NMR Parameters and geometry in 133Cs-containing compounds using Density Functional Theory
by: Manukovsky, Nurit, et al.
Published: (2024)
by: Manukovsky, Nurit, et al.
Published: (2024)
Absolute Primary Nanothermometry Using Individual Stark Sublevels of Rare-Earth-doped Crystals
by: Pessoa, Allison R., et al.
Published: (2026)
by: Pessoa, Allison R., et al.
Published: (2026)
Unraveling the Corrosion Mechanism of Boro-Alumino-Phospho-Silicate Glass: Advanced Insights from Solid-State NMR Spectroscopy
by: Khan, Muhammad Amer, et al.
Published: (2025)
by: Khan, Muhammad Amer, et al.
Published: (2025)
Direct Observation of the Translational Immobilization of Water Molecules Under Nanoscale Confinement
by: Beaton, Alec A., et al.
Published: (2023)
by: Beaton, Alec A., et al.
Published: (2023)
Noise Reduction of Stochastic Density Functional Theory for Metals
by: Vu, Jake P., et al.
Published: (2024)
by: Vu, Jake P., et al.
Published: (2024)
THz to far-infrared spectra of the known crystal polymorphs of Phenylalanine
by: Niehaus, Thomas A., et al.
Published: (2024)
by: Niehaus, Thomas A., et al.
Published: (2024)
Magnetically Assisted Separation of Weakly Magnetic Metal Ions in Porous Media.Part 1: Experiments
by: Nwachukwu, Alwell, et al.
Published: (2025)
by: Nwachukwu, Alwell, et al.
Published: (2025)
A Pyridyl-Benzimidazole Based Ruthenium(II) Complex as Optical Sensor: Targeted Cyanide Detection and Live Cell Imaging Applications
by: Naithani, Sudhanshu, et al.
Published: (2025)
by: Naithani, Sudhanshu, et al.
Published: (2025)
A Fast Analytical Model for Predicting Battery Performance Under Mixed Kinetic Control
by: Wang, Hongxuan, et al.
Published: (2024)
by: Wang, Hongxuan, et al.
Published: (2024)
Selective Biexciton Generation Under Energy-Time Entangled Quantum Light in Quantum Dots
by: Peng, Kaiyue, et al.
Published: (2026)
by: Peng, Kaiyue, et al.
Published: (2026)
Tritium Separation from Gaseous 1,2,3H Isotopologue Mixtures by Selective Adsorption on Ag-Exchanged Zeolite Type Y
by: Becker, Alexandra, et al.
Published: (2025)
by: Becker, Alexandra, et al.
Published: (2025)
QE-CONVERSE: An open-source package for the Quantum ESPRESSO distribution to compute non-perturbatively orbital magnetization from first principles, including NMR chemical shifts and EPR parameters
by: Fioccola, Simone, et al.
Published: (2025)
by: Fioccola, Simone, et al.
Published: (2025)
Enhancing the ODMR Signal of Organic Molecular Qubits
by: Poh, Yong Rui, et al.
Published: (2024)
by: Poh, Yong Rui, et al.
Published: (2024)
Bubble-Burst Synthesis of Ammonia, Amino Acids, and Urea Under Ambient, Catalyst-Free Conditions
by: Cuomo, Jerome J., et al.
Published: (2025)
by: Cuomo, Jerome J., et al.
Published: (2025)
Mechanistic Origin of Charge Separation and Enhanced Photocatalytic Activity in D-$π$-A-Functionalized UiO-66-NH$_2$ MOFs
by: Kultaeva, Anastasiia, et al.
Published: (2025)
by: Kultaeva, Anastasiia, et al.
Published: (2025)
On the Underlying Mechanism of Light-Induced Patterning of N719-Stained Photoanodes for "Photovoltaic Photographs"
by: Robert, Allyson, et al.
Published: (2025)
by: Robert, Allyson, et al.
Published: (2025)
Flexible Trilayer Cellulosic Paper Separators engineered with BaTiO$_3$ ferroelectric fillers for High Energy Density Sodium-ion Batteries
by: Sapra, Simranjot K., et al.
Published: (2024)
by: Sapra, Simranjot K., et al.
Published: (2024)
Cutting Through the Noise: On-the-fly Outlier Detection for Robust Training of Machine Learning Interatomic Potentials
by: Lam, Terry C. W., et al.
Published: (2026)
by: Lam, Terry C. W., et al.
Published: (2026)
Active Learning Enables Extrapolation in Molecular Generative Models
by: Antoniuk, Evan R., et al.
Published: (2025)
by: Antoniuk, Evan R., et al.
Published: (2025)
Reference Vertical Excitation Energies for Transition Metal Compounds
by: Jacquemin, Denis, et al.
Published: (2023)
by: Jacquemin, Denis, et al.
Published: (2023)
Nanoparticles and Quantum Dots as Emerging Optical Sensing Platforms for $\mathrm{Ni}^{2+}$ Detection: Recent Approaches and Perspectives
by: Naithani, Sudhanshu, et al.
Published: (2025)
by: Naithani, Sudhanshu, et al.
Published: (2025)
Computation of the expectation value of the spin operator $\hat{S}^2$ for the Spin-Flip Bethe-Salpeter Equation
by: Barker, Bradford A., et al.
Published: (2024)
by: Barker, Bradford A., et al.
Published: (2024)
Schrödinger equation with Pauli-Fierz Hamiltonian and double well potential as model of vibrationally enhanced tunneling for proton transfer in hydrogen bond
by: Sitnitsky, A. E.
Published: (2025)
by: Sitnitsky, A. E.
Published: (2025)
Weiner's theory for exactly solvable Schrödinger equation with symmetric double well potential
by: Sitnitsky, A. E.
Published: (2026)
by: Sitnitsky, A. E.
Published: (2026)
How grain structure evolution affects kinetics of a solid-state reaction: a case of interaction between iridium and zirconium carbide
by: Nikiforov, Ya. A., et al.
Published: (2024)
by: Nikiforov, Ya. A., et al.
Published: (2024)
Right On Time: Ultrafast Charge Separation Before Hybrid Exciton Formation
by: Gierster, Lukas, et al.
Published: (2023)
by: Gierster, Lukas, et al.
Published: (2023)
High-Pressure Monoclinic-Monoclinic Transition in Fergusonite-type HoNbO4
by: Garg, A. B., et al.
Published: (2019)
by: Garg, A. B., et al.
Published: (2019)
Insights into $CO_{2}$ activation on defective ZnS surfaces
by: de Oliveira, P. R. A, et al.
Published: (2026)
by: de Oliveira, P. R. A, et al.
Published: (2026)
The Role of THz Phonons in the Ionic Conduction Mechanism of $Li_7La_3Zr_2O_{12}$ Polymorphs
by: Lin, Amy K., et al.
Published: (2025)
by: Lin, Amy K., et al.
Published: (2025)
Room temperature detection of the (H2)2 dimer
by: Fleurbaey, H., et al.
Published: (2024)
by: Fleurbaey, H., et al.
Published: (2024)
Catalight -- an open source automated photocatalytic reactor package illustrated through plasmonic acetylene hydrogenation
by: Bourgeois, B. B., et al.
Published: (2025)
by: Bourgeois, B. B., et al.
Published: (2025)
Chemical Compositions of Soot Samples in Gold Electrode Capacitors: Molecular Simulations
by: Chaban, Vitaly V., et al.
Published: (2024)
by: Chaban, Vitaly V., et al.
Published: (2024)
Accelerated First-Principles Exploration of Structure and Reactivity in Graphene Oxide
by: El-Machachi, Zakariya, et al.
Published: (2024)
by: El-Machachi, Zakariya, et al.
Published: (2024)
Core binding energies of solids with periodic EOM-CCSD
by: Vo, Ethan A., et al.
Published: (2025)
by: Vo, Ethan A., et al.
Published: (2025)
Potential Energy Curves of Hydrogenic Halides HX(F,Cl,Br) and i-DMFT Method
by: Pilon, H Olivares, et al.
Published: (2026)
by: Pilon, H Olivares, et al.
Published: (2026)
Benchmarking the plasmon-pole and multipole approximations in the Yambo Code using the GW100 dataset
by: Bonacci, M., et al.
Published: (2026)
by: Bonacci, M., et al.
Published: (2026)
Assessing zero-shot generalisation behaviour in graph-neural-network interatomic potentials
by: Mahmoud, Chiheb Ben, et al.
Published: (2025)
by: Mahmoud, Chiheb Ben, et al.
Published: (2025)
Similar Items
-
Rapidly Screening the Correlation Between the Rotational Mobility and the Hydrogen Bonding Strength of Confined Water
by: Beaton, Alec A., et al.
Published: (2023) -
NMR crystallography reveals carbonate induced Al-ordering in ZnAl layered double hydroxide
by: Radhakrishnan, Sambhu, et al.
Published: (2021) -
Microstructural Geometry Revealed by NMR Lineshape Analysis
by: Niknam, Mohamad, et al.
Published: (2024) -
Prediction of NMR Parameters and geometry in 133Cs-containing compounds using Density Functional Theory
by: Manukovsky, Nurit, et al.
Published: (2024) -
Absolute Primary Nanothermometry Using Individual Stark Sublevels of Rare-Earth-doped Crystals
by: Pessoa, Allison R., et al.
Published: (2026)