Results 171 to 180 of about 856,893 (374)

Fundamental limits and optimal estimation of the resonance frequency of a linear harmonic oscillator. [PDF]

Commun Phys, 2021
Wang M, Zhang R, Ilic R, Liu Y, Aksyuk VA.   +4 more
europepmc   +1 more source

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

Anisotropy Factor Spectra for Weakly Allowed Electronic Transitions in Chiral Ketones

ChemPhysChem, Volume 26, Issue 6, March 15, 2025.
Anisotropy factor spectra for the weak n→π*‐type A‐band of chiral ketones cannot be described within the Franck–Condon approximation. Thus, we present such spectra computed by accounting for Herzberg–Teller corrections and compare them to experiments for fenchone, camphor and 3MCP to describe chiroptical properties of these molecules in the mid to near
Leon A. Kerber, Oliver Kreuz, Tom Ring, Hendrike Braun, Robert Berger, Daniel M. Reich   +5 more
wiley   +1 more source

Neural Structures Using the Eigenstates of a Quantum Harmonic Oscillator

, 2006
Gerasimos Rigatos, Spyros G. Tzafestaş
openalex   +1 more source

On anomalous diffusion and the fractional generalized Langevin equation for a harmonic oscillator [PDF]

, 2009
Rubens de Figueiredo Camargo, E. Capelas de Oliveira, Jayme Vaz   +2 more
openalex   +1 more source

Deuteron Quadrupole Coupling Constants and Reorientation Correlation Times of Cations in Amino Acid Ionic Liquids

ChemPhysChem, EarlyView.
Connecting structure and dynamics. The deuteron quadrupole coupling constants and reorientation correlation times of the acidic CH bond of imidazolium cations in amino acid ionic liquids are provided by using NMR property relationships and relaxation time experiments.
David Kotwica, Dirk Michalik, Ralf Ludwig   +2 more
wiley   +1 more source

Electrochemical Water Oxidation Mechanisms Involving Macrocyclic Copper(II) Complexes: Ligand Ring Size Effects on Catalytic Cycles

ChemPhysChem, EarlyView.
The ring size of the ligand strongly influences electronic properties, steric effects, and coordination modes of key intermediates. Both catalysts show similar energy barriers for OO bond formation, but [Cu(12‐TMC)]2+ exhibits more complex mechanisms due to ligand reorganization.
João Pedro C. S. Neves, Roberto Rivelino, Tiago Vinicius Alves, Vitor H. Menezes da Silva   +3 more
wiley   +1 more source

Quantum Propagator Dynamics of a Harmonic Oscillator in a Multimode Harmonic Oscillators Environment using White Noise Functional Analysis [PDF]

, 2017
Bienvenido M. Butanas, Roland Cristopher F. Caballar   +1 more
openalex   +1 more source

Mid‐infrared Spectroscopy of Protonated Benzonitrile, 2‐Cyanonaphthalene, and 9‐Cyanoanthracene for Astrochemical Consideration

ChemPhysChem, EarlyView.
Experimental infrared absorption spectra of three protonated cyano‐substituted PAHs measured by infrared multiple photon dissociation using the free‐electron laser Free‐Electron Laser for Infrared eXperiments are studied. These spectra are compared to an emission spectrum measured by JWST, and the largest measured protonated cyano‐PAH, cyanoanthracene,
Anne P. Rasmussen, Corentin Rossi, Bérenger Gans, Laura Finazzi, Jos Oomens, Giel Berden, Ugo Jacovella   +6 more
wiley   +1 more source

The classical Lenz vector and the two-dimensional quantum harmonic oscillator

, 2020
Stefano Palmisano, A. D. Polosa, R. Senese, Francesco Sciotti   +3 more
openalex   +2 more sources