Electronic Energy Singularities of Weakly H-bonded Ammonium Dimer
Fuente:
arXiv
Saved in:
| Main Author: | Ali, Md Rejwan |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Quantum Signature of Anisotropic Singularities in Hydrogen Bond Breaking of Water Dimer
by: Ali, Md Rejwan
Published: (2025)
by: Ali, Md Rejwan
Published: (2025)
Design Principles for Singlet Fission in Aza-BODIPY Dimers: Spacer-Controlled Electronic Structure and Energy Ordering
by: Goyal, Sophiya, et al.
Published: (2026)
by: Goyal, Sophiya, et al.
Published: (2026)
Interfacial Electric Fields in Water Nanodroplets are Weakly Dependent on Curvature and pH
by: Amante, Gabriele, et al.
Published: (2026)
by: Amante, Gabriele, et al.
Published: (2026)
Electron dynamics mediate the water-carbon π bond
by: LeMessurier, N., et al.
Published: (2026)
by: LeMessurier, N., et al.
Published: (2026)
Resist the surface field: the H-bond network decides if water aligns at metal electrodes
by: Jassar, Mohammed Bin, et al.
Published: (2025)
by: Jassar, Mohammed Bin, et al.
Published: (2025)
Excitonic and Charge-Transfer Contributions to Molecular Dimer Absorption: A Decomposition Approach Applied to a BPEA Dimer
by: Feskov, Serguei V., et al.
Published: (2026)
by: Feskov, Serguei V., et al.
Published: (2026)
Experimental Evidence of Direct Exchange Interaction Mediating Intramolecular Singlet Fission in Weakly-Coupled Dimers
by: Kefer, Oskar, et al.
Published: (2024)
by: Kefer, Oskar, et al.
Published: (2024)
Nodal error behind discrepancies between coupled cluster and diffusion Monte Carlo in hydrogen-bonded systems
by: Lambie, S., et al.
Published: (2025)
by: Lambie, S., et al.
Published: (2025)
A generalized valence bond model for the quantum mechanics of bonding in sulfur compounds, a new view of hypervalency
by: Murphy, Robert B., et al.
Published: (2024)
by: Murphy, Robert B., et al.
Published: (2024)
Singlet Fission in Carotenoid Dimers -- The Role of the Exchange and Dipolar Interactions
by: Ichert, Alexandru G., et al.
Published: (2024)
by: Ichert, Alexandru G., et al.
Published: (2024)
Heterogeneous Singlet Fission in a Covalently Linked Pentacene Dimer
by: Kim, Woojae, et al.
Published: (2023)
by: Kim, Woojae, et al.
Published: (2023)
Density functional benchmark for quadruple hydrogen bonds
by: Ahmed, Usman, et al.
Published: (2025)
by: Ahmed, Usman, et al.
Published: (2025)
Chemical bonding in three-membered ring systems
by: Strasser, Nina, et al.
Published: (2024)
by: Strasser, Nina, et al.
Published: (2024)
Simulating and investigating various dynamic aspects of the $\rm{H}_2\rm{O}$-related hydrogen bond model
by: You, Jiangchuan, et al.
Published: (2024)
by: You, Jiangchuan, et al.
Published: (2024)
Modulating Endothermic Singlet Fission by Controlling Radiative Rates in Perylene Dimers
by: Korovina, Nadezhda V., et al.
Published: (2024)
by: Korovina, Nadezhda V., et al.
Published: (2024)
The V30 Benchmark Set for Anharmonic Vibrational Frequencies of Molecular Dimers
by: Hoja, Johannes, et al.
Published: (2022)
by: Hoja, Johannes, et al.
Published: (2022)
Towards accurate predictions of bond-selective fluorescence spectra
by: Kocheril, Philip A., et al.
Published: (2026)
by: Kocheril, Philip A., et al.
Published: (2026)
Dissociation and radiative stabilization of the indene cation: The nature of the C-H bond and astrochemical implications
by: Stockett, M. H., et al.
Published: (2025)
by: Stockett, M. H., et al.
Published: (2025)
Data-driven Refinement of Electronic Energies from Two-Electron Reduced-Density-Matrix Theory
by: Jones, Grier M., et al.
Published: (2023)
by: Jones, Grier M., et al.
Published: (2023)
Ro-vibrational Dynamics of the Neon Dimer
by: Blume, D., et al.
Published: (2024)
by: Blume, D., et al.
Published: (2024)
Electron Transfer, Diabatic Couplings and Vibronic Energy Gaps in a Phase Space Electronic Structure Framework
by: Zaidi, Zain, et al.
Published: (2026)
by: Zaidi, Zain, et al.
Published: (2026)
Performance of Automatic Active Space Selection for Electronic Excitation Energies
by: Shirazi, Reza G., et al.
Published: (2025)
by: Shirazi, Reza G., et al.
Published: (2025)
Self-replicating fuels via autocatalytic molecular bond fission
by: Agbo, Peter
Published: (2024)
by: Agbo, Peter
Published: (2024)
Improved Optimization for the Neural-network Quantum States and Tests on the Chromium Dimer
by: Li, Xiang, et al.
Published: (2024)
by: Li, Xiang, et al.
Published: (2024)
$^{13}$C and $^{19}$F Nucleus-Electron Correlation and Self-Energies
by: Vohdin, Janina, et al.
Published: (2026)
by: Vohdin, Janina, et al.
Published: (2026)
The average bond-length of diatomic molecules in thermodynamical equilibrium depends on the volume
by: Echenique-Robba, Pablo
Published: (2024)
by: Echenique-Robba, Pablo
Published: (2024)
Post-CCSD(T) corrections to bond distances and vibrational frequencies: the power of $Λ$
by: Spiegel, Maciej, et al.
Published: (2023)
by: Spiegel, Maciej, et al.
Published: (2023)
Operating a Multi-Level Molecular Dimer Switch through Precise Tip-Molecule Control
by: Shi, Yueqing, et al.
Published: (2024)
by: Shi, Yueqing, et al.
Published: (2024)
σ/π character of H-bonding in water clusters
by: Bedniakov, Aleksandr S., et al.
Published: (2024)
by: Bedniakov, Aleksandr S., et al.
Published: (2024)
Complex-Energy Second-Order Approximate Coupled-Cluster Methods for Electronic Resonances
by: Utku, Cansu, et al.
Published: (2025)
by: Utku, Cansu, et al.
Published: (2025)
Is the protactinium(V) mono-oxo bond weaker than what we thought?
by: Shaaban, Tamara, et al.
Published: (2024)
by: Shaaban, Tamara, et al.
Published: (2024)
X-ray Absorption Spectra for Aqueous Ammonia and Ammonium: Quantum Mechanical versus Molecular Mechanical Embedding Schemes
by: Folkestad, Sarai Dery, et al.
Published: (2024)
by: Folkestad, Sarai Dery, et al.
Published: (2024)
Proton Quantum Effects on Electronic Excitation in Hydrogen-bonded Organic Solid: A First-Principles Green's Function Theory Study
by: Bhattacharya, Sampreeti, et al.
Published: (2026)
by: Bhattacharya, Sampreeti, et al.
Published: (2026)
Magnetically Assisted Separation of Weakly Magnetic Metal Ions in Porous Media. Part 2: Numerical Simulations
by: Garba, Muhammad, et al.
Published: (2025)
by: Garba, Muhammad, et al.
Published: (2025)
Computing Electronic Correlation Energies using Linear Depth Quantum Circuits
by: Chee, Chong Hian, et al.
Published: (2022)
by: Chee, Chong Hian, et al.
Published: (2022)
Stretching bonds in Density Functional Theory without artificial symmetry breaking
by: Shi, Yuming, et al.
Published: (2023)
by: Shi, Yuming, et al.
Published: (2023)
Unusual chemical bond and spectrum of beryllium dimer in ground $X^1Σ_g^+$ state
by: Mitin, A. V., et al.
Published: (2023)
by: Mitin, A. V., et al.
Published: (2023)
Pyridyl-functionalized tripod molecules on Au(111): Interplay between H-bonding and metal coordination
by: Mohammad, Sajjan, et al.
Published: (2024)
by: Mohammad, Sajjan, et al.
Published: (2024)
Using Electron Energy-Loss Spectroscopy to Measure Nanoscale Electronic and Vibrational Dynamics in a TEM
by: Kim, Ye-Jin, et al.
Published: (2023)
by: Kim, Ye-Jin, et al.
Published: (2023)
Experimentally Accurate Graph Neural Network Predictions of Core-Electron Binding Energies
by: Fouda, Adam E. A., et al.
Published: (2026)
by: Fouda, Adam E. A., et al.
Published: (2026)
Similar Items
-
Quantum Signature of Anisotropic Singularities in Hydrogen Bond Breaking of Water Dimer
by: Ali, Md Rejwan
Published: (2025) -
Design Principles for Singlet Fission in Aza-BODIPY Dimers: Spacer-Controlled Electronic Structure and Energy Ordering
by: Goyal, Sophiya, et al.
Published: (2026) -
Interfacial Electric Fields in Water Nanodroplets are Weakly Dependent on Curvature and pH
by: Amante, Gabriele, et al.
Published: (2026) -
Electron dynamics mediate the water-carbon π bond
by: LeMessurier, N., et al.
Published: (2026) -
Resist the surface field: the H-bond network decides if water aligns at metal electrodes
by: Jassar, Mohammed Bin, et al.
Published: (2025)