Results 281 to 290 of about 613,974 (314)

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

Adaptive regularized spectral reduction for stabilizing ill-conditioned bone-conducted speech signals. [PDF]

PeerJ Comput Sci
Afaq KM, Amjad A, Tai LC, Chang HT.
europepmc   +1 more source

Revisiting CN− Formation Mechanisms in Electron Collisions with Benzonitrile

ChemPhysChem, EarlyView.
This study explores negative ion formation via electron attachment, revealing CN− formation at 3.0 and 7–10 eV. Dissociation pathways are analyzed using G4(MP2) and CASPT2 calculations, highlighting the coupling between the π4* and σ* resonances critical for interstellar chemistry. Radiation‐induced processes in the aromatic cyano compound benzonitrile
Rodrigo Rodrigues, Mónica Mendes, Daniel Bou‐Debes, João Ameixa, Ali Kamali, Oddur Ingólfsson, Samuel Eden, Lucas M. Cornetta, Filipe Ferreira da Silva   +8 more
wiley   +1 more source

Quantum Zeno Dynamics of two interacting particles. [PDF]

Sci Rep
Abyaneh V, Ghorbani P.
europepmc   +1 more source

Probing the Hybrid σ/π‐Holes in sp2‐Hybridized Chalcogen Bond Donors and their Complexes with Ammonia

ChemPhysChem, EarlyView.
A double‐bonded chalcogen bond donor exhibits both a σ‐hole and a π‐hole on the same atom. These unique σ/π‐holes can be tuned based on molecular composition to be directional or semidirectional depending on the donor–acceptor bonding configuration, which differs from the behavior of other electropositive holes.
Kirk A. French, Daniel P. Devore, Thomas L. Ellington, Kevin L. Shuford   +3 more
wiley   +1 more source

Rigidity of Stratospheric Travelling Waves. [PDF]

Commun Math Phys
Constantin A, Shao H, Zhu H.
europepmc   +1 more source

Spontaneous Mirror‐Symmetry Breaking Destabilizes Racemates: A Route to Homochirality and Reversed Chemical Selectivity

ChemPhysChem, EarlyView.
Reaction networks yielding spontaneous mirror‐symmetry breaking (SMSB) are revisited. All include a first‐order enantioselective autocatalysis, which, on its own, is unable to lead to SMSB. The coupling with the so‐called ancillary reactions (racemization, mutual inhibition, etc.) makes the racemic state unstable.
Josep M. Ribó, Jean‐Claude Micheau, Thomas Buhse   +2 more
wiley   +1 more source

Network analysis using Krylov subspace trajectories. [PDF]

Complex Netw Appl XIII (2024)
Robert Frost H.
europepmc   +1 more source

Computational and Experimental Investigation of Chiral and Achiral Two‐Dimensional Organic Lead Bromide Perovskites: Octahedral Distortions and Electronic and Optical Properties

ChemPhysChem, EarlyView.
Octahedral distortion parameters in two‐dimensional hybrid organic‐inorganic perovskites, as calculated by Python code, are correlated with electronic and optical properties. Structure, Dresselhaus spin splitting, and anisotropic optical transitions of synthesized chiral and achiral lead bromide perovskites are computationally analyzed. A computational
Md Mehdi Masud, Jarek Viera, Azza Ben‐Akacha, Biwu Ma, David A. Strubbe   +4 more
wiley   +1 more source

Chaotic enhanced leader slime mold algorithm for dome structures with frequency constraints. [PDF]

Sci Rep
Sutha A, Tangaramvong S, Gao W.
europepmc   +1 more source