Do Water Molecules Always Stabilize Resonances? Microhydration Effects on Thymine Shape Resonances
Fuente:
arXiv
Saved in:
| Main Authors: | Mandal, Sujan, J, Jishnu Narayanan S, Gogoi, Ankita, Mukherjee, Madhubani, Haritan, Idan, Dutta, Achintya Kumar |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
The Effect of Aqueous Medium on Nucleobase Shape Resonances: Insights from Microsolvation
by: Narayanan, Jishnu, et al.
Published: (2025)
by: Narayanan, Jishnu, et al.
Published: (2025)
The Effect of Base-Pairing on the Shape Resonances of Nucleobases
by: J, Jishnu Narayanan S, et al.
Published: (2026)
by: J, Jishnu Narayanan S, et al.
Published: (2026)
Effect of Protein Environment on the Shape Resonances of RNA Nucleobases: Insights From a Model System
by: Arora, Sneha, et al.
Published: (2025)
by: Arora, Sneha, et al.
Published: (2025)
Impact of Amino Acid Environment on Electron Attachment to DNA: The Role of Zwitterionic Form
by: Gogoi, Ankita, et al.
Published: (2026)
by: Gogoi, Ankita, et al.
Published: (2026)
Electron Attachment Induced Shape Resonances in AT Base Pairs
by: Arora, Sneha, et al.
Published: (2026)
by: Arora, Sneha, et al.
Published: (2026)
A Third-Order Relativistic Algebraic Diagrammatic Construction Method for Double Ionization Potentials: Theory, Implementation, and Benchmark
by: Mandal, Sujan, et al.
Published: (2025)
by: Mandal, Sujan, et al.
Published: (2025)
Reduced-Cost Four-Component Relativistic Double Ionization Potential Equation-of-Motion Coupled-Cluster Approaches with 4-Hole--2-Particle Excitations and Three-Body Clusters
by: Mukhopadhyay, Tamoghna, et al.
Published: (2025)
by: Mukhopadhyay, Tamoghna, et al.
Published: (2025)
A reduced-cost two-component relativistic equation-of-motion coupled cluster method for the double electron attachment problem
by: Mandal, Sujan, et al.
Published: (2026)
by: Mandal, Sujan, et al.
Published: (2026)
An Efficient scaled opposite-spin MP2 method for periodic systems
by: Haritan, Idan, et al.
Published: (2025)
by: Haritan, Idan, et al.
Published: (2025)
A Reduced Cost Four-Component Relativistic Unitary Coupled Cluster Method for Molecules
by: Majee, Kamal, et al.
Published: (2024)
by: Majee, Kamal, et al.
Published: (2024)
A Perturbative Super-CI Approach for orbital optimization in Two-Component relativistic CASSCF
by: Guo, Yang, et al.
Published: (2026)
by: Guo, Yang, et al.
Published: (2026)
A reduced cost equation of motion coupled cluster method for excited states based on state-specific natural orbitals: Theory, Implementation, Benchmark
by: Manna, Amrita, et al.
Published: (2025)
by: Manna, Amrita, et al.
Published: (2025)
A Low Cost Relativistic Algebraic Diagrammatic Construction Method Based on Cholesky Decomposition and Frozen Natural Spinors for Electronic Ionization, Attachment and Excitation Energy Problem
by: Chakraborty, Sudipta, et al.
Published: (2025)
by: Chakraborty, Sudipta, et al.
Published: (2025)
Spin-free exact two-component linear response coupled cluster theory for estimation of frequency-dependent second-order property
by: Chakraborty, Sudipta, et al.
Published: (2024)
by: Chakraborty, Sudipta, et al.
Published: (2024)
A reduced-cost third-order algebraic diagrammatic construction based on state-specific frozen natural orbitals: Application to the electron-attachment problem
by: Mukhopadhyay, Tamoghna, et al.
Published: (2025)
by: Mukhopadhyay, Tamoghna, et al.
Published: (2025)
Tracking Microhydration of the NaCl Rocksalt Molecule in Helium Nanodroplets by Penning Ionization Electron Spectroscopy
by: Ltaief, Ltaief Ben, et al.
Published: (2025)
by: Ltaief, Ltaief Ben, et al.
Published: (2025)
A Reduced Cost Two-component Relativistic Equation-of-Motion Coupled Cluster Method for Ionization Potential
by: Chamoli, Somesh, et al.
Published: (2025)
by: Chamoli, Somesh, et al.
Published: (2025)
Double Ionization Potential Equation-of-Motion Coupled-Cluster Approach with Full Inclusion of 4-Hole-2-Particle Excitations and Three-Body Clusters
by: Gururangan, Karthik, et al.
Published: (2024)
by: Gururangan, Karthik, et al.
Published: (2024)
Calculation of DC Stark Resonances for the Ammonia Molecule
by: Pirkola, Patrik, et al.
Published: (2024)
by: Pirkola, Patrik, et al.
Published: (2024)
A low-cost four-component relativistic coupled cluster linear response theory based on perturbation sensitive natural spinors
by: Chakraborty, Sudipta, et al.
Published: (2025)
by: Chakraborty, Sudipta, et al.
Published: (2025)
Relativistic Exact-Two-Component Core-Valence-Separated Algebraic Diagrammatic Construction Theory For Near L-edge X-ray Absorption Spectra
by: Chamoli, Somesh, et al.
Published: (2026)
by: Chamoli, Somesh, et al.
Published: (2026)
A perturbative triples correction to relativistic Quadratic Unitary Coupled Cluster Method: Theory, Implementation and Benchmarking
by: Majee, Kamal, et al.
Published: (2025)
by: Majee, Kamal, et al.
Published: (2025)
Efficient Implementation of Relativistic Coupled Cluster Linear Response Theory in Combination with Perturbation Sensitive Natural Spinors and Cholesky Decomposition Treatment of Two-electron Integrals
by: Chakraborty, Sudipta, et al.
Published: (2026)
by: Chakraborty, Sudipta, et al.
Published: (2026)
Diffusion of Water Molecules on the Surface of Silica Nanoparticles -- Insights from Nuclear Magnetic Resonance Relaxometry
by: Stankiewicz, Aleksandra, et al.
Published: (2025)
by: Stankiewicz, Aleksandra, et al.
Published: (2025)
A relativistic third-order algebraic diagrammatic construction theory for electron detachment, attachment and excitation problems
by: Chakraborty, Sudipta, et al.
Published: (2024)
by: Chakraborty, Sudipta, et al.
Published: (2024)
Relativistic unitary coupled cluster method for ground-state molecular properties
by: Majee, Kamal, et al.
Published: (2025)
by: Majee, Kamal, et al.
Published: (2025)
A low-cost four-component relativistic equation of motion coupled cluster method based on frozen natural spinors: Theory, Implementation and Benchmark
by: Surjuse, Kshitijkumar, et al.
Published: (2022)
by: Surjuse, Kshitijkumar, et al.
Published: (2022)
Analytic Calculation of Transition dipole moment using four-component relativistic equation-of-motion coupled-cluster expectation value approach
by: Mukhopadhyay, Tamoghna, et al.
Published: (2023)
by: Mukhopadhyay, Tamoghna, et al.
Published: (2023)
Frozen natural spinors for Cholesky decomposition based two-component relativistic coupled cluster method
by: Chamoli, Somesh, et al.
Published: (2024)
by: Chamoli, Somesh, et al.
Published: (2024)
Observation of Resonant Tunneling from Molecular Shape into Vibronic Feshbach Resonances Followed by Mode-Specific Fragmentation
by: Kundu, Narayan, et al.
Published: (2025)
by: Kundu, Narayan, et al.
Published: (2025)
Quadruply Bonded Mo$_2$ Molecules Acting as an Inborn Emitter-Resonator Quantum System in Free Space
by: Meng, Miao, et al.
Published: (2024)
by: Meng, Miao, et al.
Published: (2024)
Reduced-cost Relativistic Equation-of-Motion Coupled Cluster Method based on Frozen Natural Spinors: A State-Specific Approach
by: Mukhopadhyay, Tamoghna, et al.
Published: (2025)
by: Mukhopadhyay, Tamoghna, et al.
Published: (2025)
Numerically Stable Resonating Hartree-Fock
by: Miller, Ericka Roy, et al.
Published: (2024)
by: Miller, Ericka Roy, et al.
Published: (2024)
Synthesis technique and electron beam damage study of nanometer-thin single-crystalline Thymine
by: Daoud, Hazem, et al.
Published: (2023)
by: Daoud, Hazem, et al.
Published: (2023)
Harnessing Chromone as a Versatile Scaffold for Emerging Biological Applications: Recent Advances and Medicinal Insights
by: Partha Pratim Kaishap, et al.
Published: (2025)
by: Partha Pratim Kaishap, et al.
Published: (2025)
Performance of Quadrupole Mass Filter with Tapered and Flared Geometry
by: Dutta, Anushree, et al.
Published: (2026)
by: Dutta, Anushree, et al.
Published: (2026)
Influence of octupole field on quadrupole mass filter performance in the second stability zone
by: Dutta, Anushree, et al.
Published: (2026)
by: Dutta, Anushree, et al.
Published: (2026)
Imaging Resonance Effects in C + H$_2$ Collisions using a Zeeman Decelerator
by: Plomp, Vikram, et al.
Published: (2023)
by: Plomp, Vikram, et al.
Published: (2023)
Connecting Collisional and Photofragmentation Resonances in the H$_2$ Ungerade Symmetry
by: Hvizdoš, Dávid, et al.
Published: (2025)
by: Hvizdoš, Dávid, et al.
Published: (2025)
Mixed Quantum/Classical Theory (MQCT) Approach to the Dynamics of Molecule-Molecule Collisions in Complex Systems
by: Joy, Carolin, et al.
Published: (2023)
by: Joy, Carolin, et al.
Published: (2023)
Similar Items
-
The Effect of Aqueous Medium on Nucleobase Shape Resonances: Insights from Microsolvation
by: Narayanan, Jishnu, et al.
Published: (2025) -
The Effect of Base-Pairing on the Shape Resonances of Nucleobases
by: J, Jishnu Narayanan S, et al.
Published: (2026) -
Effect of Protein Environment on the Shape Resonances of RNA Nucleobases: Insights From a Model System
by: Arora, Sneha, et al.
Published: (2025) -
Impact of Amino Acid Environment on Electron Attachment to DNA: The Role of Zwitterionic Form
by: Gogoi, Ankita, et al.
Published: (2026) -
Electron Attachment Induced Shape Resonances in AT Base Pairs
by: Arora, Sneha, et al.
Published: (2026)