Results 161 to 170 of about 40,571 (332)

Linear and Two‐Dimensional Infrared Spectroscopy of the Multifunctional Vibrational Probe, 3‐(4‐Azidophenyl) Propiolonitrile. Deperturbing a Fermi Triad by Isotopic Substitution

ChemPhysChem, Volume 26, Issue 6, March 15, 2025.
Linear infrared spectroscopy combined with isotope labeling and density functional theory unravels the origin of a Fermi triad in a multifunctional vibrational chromophore. Ultrafast 2DIR‐spectroscopy reports directly on the dynamics and the intramolecular vibrational energy flow pathways in the isotopically deperturbed system. Abstract Infrared probes
Claudia Gräve, Jörg Lindner, Stefan Flesch, Luis I. Domenianni, Peter Vöhringer   +4 more
wiley   +1 more source

Existence and properties of the Green function for a class of degenerate parabolic equations

, 1996
José Fernandes, Bruno Franchi
openalex   +2 more sources

A Detailed Experimental and Theoretical Study of the Crystalline and Electronic Structure of BaHf(1−x)ZrxS3 Solid Solutions (0 ≤ x ≤ 1)

ChemPhysChem, EarlyView.
A detailed study of the structural and electronic properties of solid solutions of chalcogenide perovskites BaHf(1−x)ZrxS3 by means of experimental (powder X‐ray diffraction and UV‐vis spectroscopy) and theoretical calculations is presented. The study reveals that the cell parameters decrease with Hf content, while its effect on bandgap values becomes ...
Lorenza Romagnoli, Alessandro Motta, Alessandro Latini   +2 more
wiley   +1 more source

Well-posedness of non-autonomous degenerate parabolic equations under singular perturbations

Electronic Journal of Differential Equations, 2016
This article concerns the asymptotic behavior of the following non-autonomous degenerate parabolic equation with singular perturbations defined on a bounded domain in $\mathbb{R}^n$, $$ \frac{\partial u}{\partial t}+\lambda u-\operatorname{div ...
Jingyu Wang, Yejuan Wang, Dun Zhao
doaj  

$W^{2,\infty }$ regularizing effect in a nonlinear, degenerate parabolic equation in one space dimension [PDF]

, 2004
Espen R. Jakobsen
openalex   +1 more source

Machine Learning Approaches in Soft Matter Molecular Simulation and Materials Characterization: Challenges and Perspectives

ChemPlusChem, EarlyView.
Rigorous frameworks construction toward the development of science‐based machine learning (ML) schemes: invocation of statistical learning and data‐driven methods within the diverse materials science fields, from materials characterization to molecular modeling utilizing domain knowledge to facilitate fundamental understanding and scientific discovery.
Niki Vergadou, Vassilios Constantoudis
wiley   +1 more source

Extinction in Finite Time of Solutions to Degenerate Parabolic Equations with Nonlinear Boundary Conditions

, 2000
Ning Su
openalex   +1 more source

Renormalized Entropy Solutions for Quasi-linear Anisotropic Degenerate Parabolic Equations [PDF]

, 2004
Mostafa Bendahmane, Kenneth H. Karlsen
openalex   +1 more source

Non‐Markovian Quantum Kinetic Simulations of Uniform Dense Plasmas: Mitigating the Aliasing Problem

Contributions to Plasma Physics, EarlyView.
ABSTRACT Dense quantum plasmas out of equilibrium are successfully modeled using quantum kinetic equations, such as the quantum Boltzmann, Landau, or Balescu–Lenard equation. However, these equations do not properly take into account correlation effects, which require the use of generalized non‐Markovian kinetic equations.
C. Makait, M. Bonitz
wiley   +1 more source

Multiscale Modelling, Analysis and Simulation of Cancer Invasion Mediated by Bound and Soluble Enzymes. [PDF]

Bull Math Biol
Ptashnyk M, Venkataraman C.
europepmc   +1 more source