:: Library Catalog

Imagen de Portada

Guardado en:

Detalles Bibliográficos
Autores principales:	Parkes, Michael A., Worth, Graham A.
Formato:	Preprint
Publicado:	2024
Materias:	Chemical Physics
Acceso en línea:	https://arxiv.org/abs/2407.20039
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

Ejemplares similares

Limitations of MRSF-TDDFT for Applications in Photochemistry
por: Janoš, Jiří, et al.
Publicado: (2026)

Prediction Through Quantum Dynamics Simulations: Photo-excited Cyclobutanone
por: Bennett, Olivia, et al.
Publicado: (2024)

Imaging the Photochemistry of Cyclobutanone using Ultrafast Electron Diffraction: Experimental Results
por: Green, A. E., et al.
Publicado: (2025)

Defects at Play: Shaping the Photophysics and Photochemistry of Ice
por: Monti, Marta, et al.
Publicado: (2025)

Response to Comment on "Non-Polaritonic Effects in Cavity-Modified Photochemistry": On the Importance of Experimental Details
por: Thomas, Philip A., et al.
Publicado: (2025)

A Theoretical Perspective on the Photochemistry of Boron-Nitrogen Lewis Adducts
por: Marsili, Emanuele, et al.
Publicado: (2023)

Preparation of tautomer-pure molecular beams by electrostatic deflection
por: Abma, Grite L., et al.
Publicado: (2024)

The Photochemistry of Rydberg Excited Cyclobutanone: Photoinduced Processes and Ground State Dynamics
por: Eng, Julien, et al.
Publicado: (2024)

On the importance of experimental details: A Comment on "Non-Polaritonic Effects in Cavity-Modified Photochemistry"
por: Schwartz, Tal, et al.
Publicado: (2024)

Formation of the Methyl Cation by Photochemistry in a Protoplanetary Disk
por: Berné, Olivier, et al.
Publicado: (2024)

Sample-based Quantum Diagonalization Methods for Modeling the Photochemistry of Diazirine and Diazo Compounds
por: Shivpuje, Saurabh, et al.
Publicado: (2025)

Photochemistry upon charge separation in triphenylamine derivatives from fs to $\mathrmμ$s
por: Brockmann, Hendrik J., et al.
Publicado: (2024)

Ultrafast Photochemistry and Electron Diffraction for Cyclobutanone in the S2 State: Surface Hopping with Time-Dependent Density Functional Theory
por: Miller, Ericka Roy, et al.
Publicado: (2024)

Imaging the Photochemistry of the Hydrogen-Bonded Heptazine-Water Complex with Femtosecond Time-Resolved Spectroscopy: A Computational Study
por: Pios, Sebastian V., et al.
Publicado: (2024)

Ultrafast Processes in 1,2-Dichloroethene measured with a Universal XUV probe
por: McGhee, Henry G., et al.
Publicado: (2024)

A Simple Molecular Model for Hydrated Silicate Ionic Liquids, a Realistic Zeolite Precursor
por: Vekeman, Jelle, et al.
Publicado: (2024)

SAP-X2C: Optimally-Simple Two-Component Relativistic Hamiltonian With Size-Intensive Picture Change
por: Surjuse, Kshitijkumar A., et al.
Publicado: (2026)

Large Differences Between Stochastic and Deterministic Kinetics in a Simple Autocatalytic Reaction Network
por: Bednarek, Tomasz, et al.
Publicado: (2024)

Approximation of the electronic terms of diatomic molecules by the Morse function. The role of anharmonicity. II. Simple terms
por: Denisov, G. S., et al.
Publicado: (2024)

Synthesis and Molecular Modeling Studies of New Thiadiazole‐Thiophene Compounds as Potent Antimicrobial Agents
por: Nuha M. Halawani, et al.
Publicado: (2025)

A Simple and Accurate Method for Computing Optimized Effective Potentials for Exact Exchange Energy
por: Takahashi, Hideaki
Publicado: (2024)

A Simple and Efficient Equivariant Message Passing Neural Network Model for Non-Local Potential Energy Surface
por: Wu, Yibin, et al.
Publicado: (2024)

SpinAdaptedSecondQuantization.jl 1.0 -- A Simple and Pedagogical Approach to Symbolic Quantum Chemistry
por: Lexander, Marcus T., et al.
Publicado: (2025)

Path Integral Brownian Chain Molecular Dynamics: A Simple Approximation of Quantum Vibrational Dynamics
por: Shiga, Motoyuki
Publicado: (2024)

Simple and efficient computational strategies for calculating orbital energies and pair-orbital energies from pCCD-based methods
por: Jahani, Seyedehdelaram, et al.
Publicado: (2025)

Simple Hückel Molecular Orbital Theory for Möbius Carbon Nanobelts
por: Wang, Yang
Publicado: (2024)

A Simple Iterative Approach for Constant Chemical Potential Simulations at Interfaces
por: Soyemi, Ademola, et al.
Publicado: (2025)

Simple numerical scheme for solving the impregnation equations in a porous pellet
por: Peskov, N. V., et al.
Publicado: (2025)

Modified Marrone-Treanor dissociation model: formulation and benchmarking for diatom/atom mixtures
por: Chaudhry, Ross S., et al.
Publicado: (2025)

Can The Mystery of The Born-Oppenheimer Electronic Current Density Be Explained With A Simple Phase Space Electronic Hamiltonian? Yes (And A Lot More Too)
por: Tao, Zhen, et al.
Publicado: (2024)

Diagrammatic Multiplet-Sum Method (MSM) Density-Functional Theory (DFT): Investigation of the Transferability of Integrals in "Simple" DFT-Based Approaches to Multi-Determinantal Problems
por: Ponra, Abraham, et al.
Publicado: (2023)

Simulation of pulsed dynamic nuclear polarization in the steady state
por: Jegadeesan, Shebha Anandhi, et al.
Publicado: (2025)

A Simple and Scalable Kernel Density Approach for Reliable Uncertainty Quantification in Atomistic Machine Learning
por: Willimetz, Daniel, et al.
Publicado: (2025)

Molecular dynamics simulations of Nafion thin films at a platinum catalyst surface: Correlating structure with charging behaviour
por: Vivod, Dustin, et al.
Publicado: (2026)

Automated Workflow for Absolute Binding Free Energy Calculations with Implicit Solvent and Double Decoupling
por: Ayoub, Steven, et al.
Publicado: (2025)

Simple and general unitarity conserving numerical real time propagators of time dependent Schrödinger equation based on Magnus expansion
por: Ture, Taner M., et al.
Publicado: (2023)

Fast and Accurate Uncertainty Estimation in Chemical Machine Learning
por: Musil, Felix, et al.
Publicado: (2018)

Simple Fermionic backflow states via a systematically improvable tensor decomposition
por: Bortone, Massimo, et al.
Publicado: (2024)

Simple lipids form stable higher-order structures in concentrated sulfuric acid
por: Duzdevich, Daniel, et al.
Publicado: (2024)

A theoretical and experimental assessment of adiabatic losses in force-gradient-detected magnetic resonance of nitroxide spin labels
por: Boucher, Michael C., et al.
Publicado: (2026)