Results 151 to 160 of about 166,448 (322)

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

The quartic anharmonic oscillator - an oscillator-basis expansion approach. I. Energy levels study and calculation [PDF]

Ядерна фізика та енергетика
For the quantum quartic anharmonic oscillator with the Hamiltonian H=0.5(p2+x2)+λx4 which is one of the classic traditional quantum-mechanical and quantum-field-theory models, its main physical characteristics and properties are thoroughly studied and ...
V. A. Babenko, A. V. Nesterov
doaj   +1 more source

Excited State Assignment and State-Resolved Photoelectron Circular Dichroism in Chalcogen-Substituted Fenchones. [PDF]

Chemphyschem
Fenchone, thiofenchone, and selenofenchone (chalcogenofenchones) are characterized using gas‐phase spectroscopic experiments. The experimentally determined energies of excited states are supported by quantum chemical calculations. Furthermore, near‐ultraviolet femtosecond laser pulses are used to measure the state‐resolved photoelectron circular ...
Vasudevan S, Giesen SM, Ranecky ST, Marder L, Vidanović I, Kour M, Küstner-Wetekam C, Ladda N, Das S, Rosen T, Popkova V, Lee HG, Kargin D, Schäfer T, Hans A, Baumert T, Berger R, Braun H, Ehresmann A, Fuchs GW, Giesen TF, Mikosch J, Pietschnig R, Senftleben A.   +23 more
europepmc   +2 more sources

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

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

Unveiling the Damped Quantum Harmonic Oscillator

Jurnal Kumparan Fisika
This article dis cusses the often-overlooked "damped" quantum harmonic oscillator, a vibrating system that loses energy over time. We bridge the classical-quantum divide, starting with the familiar equation of motion for a damped oscillator using Hooke's
Yahya Efendi, Faza Atika Anumillah, Muhammad Nurhuda   +2 more
doaj   +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

Linking Physics and Psychology of Bistable Perception Using an Eye Blink Inspired Quantum Harmonic Oscillator Model

, 2023
Ivan S. Maksymov, Ganna Pogrebna
openalex   +2 more sources

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

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