Results 281 to 290 of about 863,168 (361)

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

Resonance modes in microstructured photonic waveguides: efficient and accurate computation based on AAA rational approximation. [PDF]

Nanophotonics
Binkowski F, Betz F, Hammerschmidt M, Zschiedrich L, Burger S.   +4 more
europepmc   +1 more source

Conservation of the Total Order of the Axial SiSi and N → Si Bonds in Oligosilanylsilatranes

ChemPhysChem, EarlyView.
Total bond order (the sum of inversely related bSiSi and bN → Si bond orders) in oligo‐silanylsilatranes is constant and equal to unity unequivocally proving 3c‐4e character of the N → SiSi bond and a distinct covalent contribution in the N → Si interaction.
Elena F. Belogolova, Evgeniya P. Doronina, Judith Baumgartner, Christoph Marschner, Viatcheslav V. Jouikov   +4 more
wiley   +1 more source

Network and Phase Symmetries Reveal That Amplitude Dynamics Stabilize Decoupled Oscillator Clusters. [PDF]

Entropy (Basel)
Emenheiser J, Salova A, Snyder J, Crutchfield JP, D'Souza RM.   +4 more
europepmc   +1 more source

UV–Vis Spectra of Carbonic Acid: Rationalizing Experimental Redshifts between Monomer and Bulk based on (H2CO3)n Calculations

ChemPhysChem, EarlyView.
In bulk carbonic acid (e.g., in interstellar icy dust grains) cluster formation produces two distinct UV‐Vis spectral features redshifted by ≈2 eV (25 nm) and by ≈5 eV (80 nm) compared to gas phase single molecule carbonic acid 's adiabatic ionization energy. Theory and experiment were used to investigate the origin of these shifts.
Dennis F. Dinu, Bastian Klein, Chaojiang Zhang, Radu A. Talmazan, Thomas Loerting, Hinrich Grothe, Ralf I. Kaiser, Maren Podewitz   +7 more
wiley   +1 more source

Decomposed Gaussian Processes for Efficient Regression Models with Low Complexity. [PDF]

Entropy (Basel)
Fradi A, Tran TT, Samir C.
europepmc   +1 more source

On the discrete eigenvalues of themany-particle system

, 1966
Jun Uchiyama
openalex   +2 more sources

Socialization of Prospective Practitioners Towards Pro‐Sustainability Business Attitudes: The Business Curriculum and Social Referents

Corporate Social Responsibility and Environmental Management, EarlyView.
ABSTRACT Transforming current business practices is key to addressing urgent sustainability grand challenges. To achieve such transformation, we first must foster the internalization of pro‐sustainability business attitudes among prospective business practitioners.
Justo Alberto Ramírez‐Franco, Raquel Antolín‐López, Iván Montiel   +2 more
wiley   +1 more source

Koopman-based linearization of preparatory EEG dynamics in Parkinson's disease during galvanic vestibular stimulation. [PDF]

Front Hum Neurosci
Kia M, Mirian MS, Soori S, Saedi S, Arasteh E, Faramarzi MH, Chinchani A, Lee S, Luczak A, McKeown MJ.   +9 more
europepmc   +1 more source

AGORA: Adaptive Generation of Orthogonal Rational Approximations for Frequency‐Response Data

International Journal of Circuit Theory and Applications, EarlyView.
This paper introduces the adaptive generation of orthogonal rational approximations (AGORA) method for rational function approximation of measured or simulated microwave network parameters. AGORA allows estimating the model order for a given error tolerance and does not require any initial estimates or adjustment of hyperparameters. ABSTRACT This paper
Andria Lemus, Arif Ege Engin
wiley   +1 more source