:: Library Catalog

Copertina

Salvato in:

Dettagli Bibliografici
Autori principali:	Chari, Vishnu Rama, Behera, Raghu Nath
Natura:	Preprint
Pubblicazione:	2025
Soggetti:	Chemical Physics
Accesso online:	https://arxiv.org/abs/2512.04664
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

Thermodynamics of amide + amine mixtures. 3. Relative permittivities of N,N-dimethylformamide + N-propylpropan-1-amine, + N-butylbutan-1-amine, + butan-1-amine, or + hexan-1-amine systems at several temperatures
di: Hevia, Fernando, et al.
Pubblicazione: (2024)

Thermodynamics of amide+amine mixtures. 4. Relative permittivities of N,N-dimethylacetamide+N-propylpropan-1-amine, +N-butylbutan-1-amine, +butan-1-amine, or +hexan-1-amine and of N,N-dimethylformamide+aniline mixtures
di: Hevia, Fernando, et al.
Pubblicazione: (2024)

Thermodynamics of amide+amine mixtures. 5. Excess molar enthalpies of N,N-dimethylformamide or N,N-dimethylacetamide+N-propylpropan-1-amine, +N-butylbutan-1-amine, +butan-1-amine, or +hexan-1-amine systems. ERAS results
di: Hevia, Fernando, et al.
Pubblicazione: (2024)

Thermodynamics of amine mixtures. Systems formed by alkyl-amine and ether, or N,N-dialkylamide, or ethanenitrile
di: González, Juan Antonio, et al.
Pubblicazione: (2024)

Thermodynamics of Amide + Amine Mixtures. 1. Volumetric, Speed of Sound, and Refractive Index Data for N,N-Dimethylformamide +N-Propylpropan-1-amine, +N-Butylbutan-1-amine, +Butan-1-amine, or +Hexan-1-amine Systems at Several Temperatures
di: Hevia, Fernando, et al.
Pubblicazione: (2024)

Non-ideal mixing of lipids: a molecular dynamics perspective
di: Berezovska, L., et al.
Pubblicazione: (2024)

On-the-fly reparametrization of pairwise dispersion interactions for accurate and efficient molecular dynamics: Phase diagram of white phosphorus
di: Muhli, Heikki, et al.
Pubblicazione: (2024)

Multi-center decomposition of molecular densities: A numerical perspective
di: Cheng, YingXing, et al.
Pubblicazione: (2024)

Photo-induced molecular growth of benzonitrile in the gas phase
di: Behera, Nihar Ranjan, et al.
Pubblicazione: (2024)

H2O and CO2 sorption in ion exchange sorbents: distinct interactions in amine versus quaternary ammonium materials
di: Tomaraei, Golnaz Najaf, et al.
Pubblicazione: (2025)

Quantum simulation of CO$_2$ chemisorption in an amine-functionalized metal-organic framework
di: Owens, Jonathan R., et al.
Pubblicazione: (2025)

Measuring line tension: thermodynamic integration during detachment of a molecular dynamics droplet
di: Shintaku, Minori, et al.
Pubblicazione: (2024)

Teachers that teach the irrelevant: Pre-training machine learned interaction potentials with classical force fields for robust molecular dynamics simulations
di: Yuan, Eric C. -Y., et al.
Pubblicazione: (2025)

Controlling molecular dynamics by exciting atoms in a cavity
di: Csehi, András, et al.
Pubblicazione: (2024)

Polynomial propagators for classical molecular dynamics
di: Kondov, Ivan
Pubblicazione: (2023)

Best practices for nonadiabatic molecular dynamics simulations
di: Prlj, Antonio, et al.
Pubblicazione: (2025)

Vibronic correlations in molecular strong field dynamics
di: Labeye, Marie, et al.
Pubblicazione: (2024)

Efficient configuration-interaction models for photoionization of molecular dimers
di: Ruivo, Julio C, et al.
Pubblicazione: (2024)

(Electro)catalytic oxidation of sulfide and recovery of elemental sulfur from sulfide-laden streams
di: Sergienko, Natalia, et al.
Pubblicazione: (2024)

Quantum-centric machine learning for molecular dynamics
di: Tao, Yanxian, et al.
Pubblicazione: (2025)

Decoherence dynamics in molecular qubits: Exponential, Gaussian and beyond
di: Gustin, Ignacio, et al.
Pubblicazione: (2024)

Topological analysis reveals multiple pathways in molecular dynamics
di: Donati, Luca, et al.
Pubblicazione: (2024)

Phenomenological characterization of the isomerization transition state of carbonyl sulfide
di: Rafik, Amine, et al.
Pubblicazione: (2025)

Shadow excited state molecular dynamics with the \DeltaSCF method
di: Fajen, O. Jonathan, et al.
Pubblicazione: (2025)

Time-reversible implementation of MASH for efficient nonadiabatic molecular dynamics
di: Geuther, J. Amira, et al.
Pubblicazione: (2024)

Anisotropic molecular photoemission dynamics: Interpreting and accounting for the nuclear motion
di: Desrier, Antoine, et al.
Pubblicazione: (2024)

Structure and dynamics of the magnetite(001)/water interface from molecular dynamics simulations based on a neural network potential
di: Romano, Salvatore, et al.
Pubblicazione: (2024)

Incorporating QM/MM molecular dynamics into the few-mode quantization approach for light-matter interactions in nanophotonic structures
di: Tichauer, Ruth H., et al.
Pubblicazione: (2025)

Stabilizer configuration interaction: Finding molecular subspaces with error detection properties
di: Anand, Abhinav, et al.
Pubblicazione: (2024)

Thermodynamic and Stoichiometric Laws Ruling the Fates of Growing Systems
di: Kamimura, Atsushi, et al.
Pubblicazione: (2023)

Using molecular dynamics to investigate the driving force for graphene auto-kirigami
di: Rawlins, Charlie M., et al.
Pubblicazione: (2025)

Quantum coherence in molecular dynamics induced by inelastic free electron scattering
di: Kumar, Akshay, et al.
Pubblicazione: (2022)

Non-Hermitian molecular dynamics simulations of exciton-polaritons in lossy cavities
di: Sokolovskii, Ilia, et al.
Pubblicazione: (2023)

Time evolution of natural orbitals in ab initio molecular dynamics
di: Santamaría, Alejandro Rivero, et al.
Pubblicazione: (2023)

Simulating open-system molecular dynamics on analog quantum computers
di: Olaya-Agudelo, V. C., et al.
Pubblicazione: (2024)

Surface energetics of wurtzite and sphalerite polymorphs of zinc sulfide and implications for their formation in nature
di: Subramani, Tamilarasan, et al.
Pubblicazione: (2026)

Characteristics of mono-, di-, and trivalent cations in electric double layers: a molecular dynamic investigation
di: Ai, Bowen, et al.
Pubblicazione: (2025)

Pseudo-grand canonical molecular dynamics via volumetrically controlled osmotic pressure
di: Armstrong, Blake I., et al.
Pubblicazione: (2025)

Extended Lagrangian molecular dynamics on vibronic surfaces in the nuclear-electronic orbital framework
di: Dickinson, Joseph A., et al.
Pubblicazione: (2026)

Strong coupling electron-photon dynamics: a real-time investigation of energy redistribution in molecular polaritons
di: Castagnola, Matteo, et al.
Pubblicazione: (2024)