Results 131 to 140 of about 5,309,525 (360)

Tuning the Excited State Character of Amine/Carbonyl Thermally Activated Delayed Fluorescence Emitters with Ring Fusion

open access: yesChemistry – A European Journal, EarlyView.
Ring fusion in MR‐TADF emitters can affect the charge transfer excited state and therefore the photophysical properties. Here we investigate the effect of ring fusion in two structurally similar molecules to identify the advantages and disadvantages of this strategy.
Thomas Kalab   +3 more
wiley   +1 more source

Dynamical Behaviour of a Time Delay Model of the ERK and STAT5 Interaction [PDF]

open access: yesBioautomation, 2007
In this paper we have done sensitive analysis of a time delay model which describes the ERK and STAT5 interaction. The results show that the type of the equilibrium point of the model can be a compound saddle-focus or a compound saddle-knot.
Kotev V.
doaj  

Optimization and predictive modelling of biodiesel production from waste cooking oil catalyzed by blast furnace slag geopolymer using RSM and machine learning

open access: yesThe Canadian Journal of Chemical Engineering, EarlyView.
Abstract Biodiesel production from waste cooking oil (WCO) has emerged owing to growing interest in sustainable energy sources. Geopolymers synthesized from industrial wastes, such as blast furnace slag (BFS), are promising catalysts because of their environmental benefits and catalytic properties.
Pascal Mwenge   +3 more
wiley   +1 more source

eChem: Accelerated Method Development in Quantum Chemistry with Notebooks

open access: yesChemistry–Methods, EarlyView.
The benefits of using Jupyter Notebooks to simplify and accelerate scientific code development are demonstrated using the practical example of the analytical molecular Hessian. The eChem project has been previously presented as an interactive platform for quantum and computational chemistry education [J. Chem. Educ. 100, 1664–1671].
Manuel Hodecker   +2 more
wiley   +1 more source

A Parameterized Splitting Preconditioner for Generalized Saddle Point Problems

open access: yesJournal of Applied Mathematics, 2013
By using Sherman-Morrison-Woodbury formula, we introduce a preconditioner based on parameterized splitting idea for generalized saddle point problems which may be singular and nonsymmetric.
Wei-Hua Luo, Ting-Zhu Huang
doaj   +1 more source

Uzawa type algorithms for nonsymmetric saddle point problems [PDF]

open access: bronze, 1999
James H. Bramble   +2 more
openalex   +1 more source

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

open access: yesChemPhysChem, 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   +2 more
wiley   +1 more source

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