Results 131 to 140 of about 2,766 (314)

Predicting rare events using training data from stratified sampling designs, with application to human‐caused wildfire prediction

open access: yesCanadian Journal of Statistics, EarlyView.
Abstract Response‐based sampling is often used in modelling rare events from large, imbalanced data for efficiency. When modelling the event with logistic regression, the sampling design may be adjusted for using sampling weights or an offset. We propose a stratified sampling design for modelling rare events with large data which improves on previous ...
Johanna de Haan‐Ward   +2 more
wiley   +1 more source

Exploring Bonding in Bioinorganic Chemistry: Ab Initio Valence Bond Calculations of Iron(II)‐CO and Iron(IV)‐Oxo Units in Cytochrome P450 under Oriented External Electric Fields

open access: yesChemistry–Methods, EarlyView.
Ab initio valence bond calculations under oriented electric fields along the bond axis of Fe(II)‐CO and Fe(IV)‐oxo units in cytochrome P450 enzymes highlight their effectiveness in probing complex bonding characteristics and ligand effects in bioinorganic systems.
Enhua Zhang, Hajime Hirao
wiley   +1 more source

Asymptotic behavior of solutions to a degenerate quasilinear parabolic equation with a gradient term

open access: yesElectronic Journal of Differential Equations, 2015
This article concerns the asymptotic behavior of solutions to the Cauchy problem of a degenerate quasilinear parabolic equations with a gradient term.
Huilai Li   +3 more
doaj  

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

open access: yesChemPhysChem, 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   +4 more
wiley   +1 more source

Broad‐Spectrum Diffusion Coefficient Measurements via Surface Plasmon Resonance: From Thermodynamics to Protein Conformational Disorders

open access: yesChemPhysChem, EarlyView.
Recent advancements in surface plasmon resonance protocols and simulations have enhanced the measurement and prediction of diffusion coefficients (D) for chemical species in microfluidic channels. These developments enable precise determination of D values for molecules ranging from a few angstroms to nanometric aggregates, facilitating detailed ...
Giuseppe Stefano Basile   +4 more
wiley   +1 more source

An Lp-approach for the study of degenerate parabolic equations

open access: yesElectronic Journal of Differential Equations, 2005
We give regularity results for solutions of a parabolic equation in non-rectangular domains $U=cup_{tin ] 0,1[}{ t} imes I_{t}$ with $I_{t}={x ...
Boubaker-Khaled Sadallah   +2 more
doaj  

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