Image de couverture de livre

On the microscopic structure of neat linear alkylamine liquids: an x-ray scattering and computer simulation study

Fuente: arXiv

Enregistré dans:

Détails bibliographiques
Auteurs principaux:	Požar, Martina, Friedrich, Lena, Millet, Tristan, Paulus, Michael, Sternemann, Christian, Perera, Aurélien
Format:	Preprint
Publié:	2024
Sujets:	Chemical Physics
Accès en ligne:	Acceder al recurso
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires

Microscopic Structure of Aqueous Alkylamine mixtures: a Computer Simulation Study
par: Požar, Martina, et autres
Publié: (2025)

Pressure dependent structure of neat liquid methanol, CH3OH: molecular dynamics simulations with various united atom type potentials
par: Bakó, Imre, et autres
Publié: (2025)

Site-site interaction model for alcohol models in two-dimensions
par: Perera, Aurélien
Publié: (2024)

Mesoscopic Correlations in Aqueous Alkylamine Mixtures Between Molecular and Micro Emulsions
par: Perera, Aurelien
Publié: (2025)

Charge order, domain order, ideal mixing and absence of demixing in 2D binary mixtures of alcohols
par: Chelli, Lydia, et autres
Publié: (2026)

Delocalisation explains efficient transport and charge generation in neat Y6 organic photovoltaics
par: Balzer, Daniel, et autres
Publié: (2026)

Static linear density response from X-ray Thomson scattering measurements: a case study of warm dense beryllium
par: Schwalbe, Sebastian, et autres
Publié: (2025)

Adversarial reverse mapping of condensed-phase molecular structures: Chemical transferability
par: Stieffenhofer, Marc, et autres
Publié: (2021)

Post-collision interaction in the liquid phase: the role of electron scattering
par: Dupuy, Rémi, et autres
Publié: (2025)

An atomistic approach for modeling of polarizability and Raman scattering of water clusters and liquid water
par: Paul, Atanu, et autres
Publié: (2025)

Liquid-liquid equilibria of systems containing 2-methoxyphenol or 2-ethoxyphenol and n-alkanes
par: Tristán, Cristina Alonso, et autres
Publié: (2025)

Revealing flow structures in horizontal pipe and biomass combustor using computational fluid dynamics simulation
par: Soen Steven, et autres
Publié: (2024)

Fast simulation of soft x-ray near-edge spectra using a relativistic state-interaction approach: Application to closed-shell transition metal complexes
par: Pak, Sarah, et autres
Publié: (2025)

Subspace methods for the simulation of molecular response properties on a quantum computer
par: Reinholdt, Peter, et autres
Publié: (2024)

Hamiltonian simulation-based quantum-selected configuration interaction for large-scale electronic structure calculations with a quantum computer
par: Sugisaki, Kenji, et autres
Publié: (2024)

Structure of liquid--vapor interfaces: perspectives from liquid state theory, large-scale simulations, and potential grazing-incidence X-ray diffraction
par: Höfling, Felix, et autres
Publié: (2023)

Scale-Dependent Velocity Fluctuations Generated by Molecular Collisions
par: Barkman, Tristan
Publié: (2025)

Trotter simulation of vibrational Hamiltonians on a quantum computer
par: Malpathak, Shreyas, et autres
Publié: (2025)

Transmission spectroscopy of CF$_4$ molecules in intense x-ray fields
par: Jin, Rui, et autres
Publié: (2024)

Full Quantum dynamics study for H atom scattering from graphene
par: Shi, Lei, et autres
Publié: (2024)

Effect of ion structure on the physicochemical properties and gas absorption of surface active ionic liquids
par: Ávila, Jocasta, et autres
Publié: (2024)

Liquid-liquid equilibria for (2-hydroxy benzaldehyde + n-alkane) mixtures. Intermolecular and proximity effects in systems containing hydroxyl and aldehyde groups
par: González, Juan Antonio, et autres
Publié: (2024)

Molecular dynamics simulations of Nafion thin films at a platinum catalyst surface: Correlating structure with charging behaviour
par: Vivod, Dustin, et autres
Publié: (2026)

Giant mobility of surface-trapped ionic charges following liquid tribocharging
par: Benrahla, Zouhir, et autres
Publié: (2025)

An assessment of frozen natural orbitals and band gaps using equation of motion coupled cluster theory: a case study on polyacene and trans-polyacetylene
par: Windom, Zachary W., et autres
Publié: (2024)

Hydrodynamics and mass transfer studies on plate‐type microchannel reactor for liquid–liquid systems
par: Pranita A. Karekar, et autres
Publié: (2024)

Effect of inlet structure parameters of dispersed phase on flow field characteristics in a liquid–liquid cyclone reactor
par: Yaojun Guo, et autres
Publié: (2025)

Experimental and computational studies on isolation of cardanol from cashew nut shell liquid using diethanolamine‐based deep eutectic solvent at different molar ratios
par: Vichitra Malaiyarasan, et autres
Publié: (2024)

How reproducible are first-principles simulations of liquid water?
par: ONeill, Niamh, et autres
Publié: (2026)

Martignac: Computational workflows for reproducible, traceable, and composable coarse-grained Martini simulations
par: Bereau, Tristan, et autres
Publié: (2024)

Critical point search and linear response theory for computing electronic excitation energies of molecular systems. Part II. CASSCF
par: Grazioli, Laura, et autres
Publié: (2026)

Any type of spectroscopy can be efficiently simulated on a quantum computer
par: Flew, Liam P., et autres
Publié: (2025)

Experimental study and numerical simulation of microchannel heat exchanger structure optimization based on heat transfer and flow
par: Qingyang Zhang, et autres
Publié: (2025)

Understanding and mitigating noise in molecular quantum linear response for spectroscopic properties on quantum computers
par: Ziems, Karl Michael, et autres
Publié: (2024)

Faster quantum chemistry simulations on a quantum computer with improved tensor factorization and active volume compilation
par: Caesura, Athena, et autres
Publié: (2025)

Probing the structure of cyclic hydrocarbon molecules with X-ray-induced Coulomb explosion imaging
par: Borne, Kurtis D., et autres
Publié: (2026)

MLatom 3: Platform for machine learning-enhanced computational chemistry simulations and workflows
par: Dral, Pavlo O., et autres
Publié: (2023)

Single-run determination of the saturation vapor pressure and enthalpy of vaporization/sublimation of a substance undergoing successive solid-solid and solid-liquid phase transitions: the case of $N$-methyl acetamide
par: Salimi, Mohsen, et autres
Publié: (2026)

Topological origin of peak splitting in the structure factor of liquid water
par: Beaulieu, Zoé Faure, et autres
Publié: (2026)

Crystal structure and photoluminescence properties of CuBrxI1−x(melamine) (0 ≤ x ≤ 1) complexes
par: Juhyun Kim, et autres
Publié: (2025)