Results 131 to 140 of about 4,846,198 (334)

Coverage‐ and Temperature‐Dependent Rates of Metalation, Ring Fusion, and Polymerization of Benzoporphyrins on Cu(111)

open access: yesChemistry – A European Journal, EarlyView.
Using temperature‐programmed desorption, supported by scanning tunneling microscopy, X‐ray photoelectron spectroscopy, and density‐functional theory, we have investigated metalation, ring fusion, and polymerization of three different benzoporphyrins on Cu(111).
Maximilian Muth   +9 more
wiley   +1 more source

The Local Bifurcation of Food web Prey-Predator Model involving fear and anti-Predator behavior

open access: yesIbn Al-Haitham Journal for Pure and Applied Sciences
     In this paper, the conditions under which the occurrence of the local bifurcation (such as saddle-node (SN), transcritical (TC), and pitchfork (PT)) of all stable points of a food web model have been investigated.
Hanna Rasool Hadi, Azhar Abbas Majeed
doaj   +1 more source

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

Understanding the active site structures and achieving catalytic activity tuning of atomically dispersed FeN4 sites for oxygen reduction reaction

open access: yesChemPhysChem, Accepted Article.
Atomically dispersed Fe‐N‐C catalysts with high oxygen reduction reaction (ORR) activity have attracted great attention since the last decade. Due to its comparable ORR activity and low material cost, it is a promising platinum‐group metal (PGM) free catalyst that can replace the commercialized Pt/C materials; furthermore, it can facilitate the ...
Jiayi Xu   +3 more
wiley   +1 more source

Vibrational Partition Functions from Bond Order and Populations Relationships

open access: yesChemPhysChem, EarlyView.
A new computational model is presented that predicts vibrational partition functions using bond orders and populations relationships (QBOP). This model demonstrates that thermochemical energy contributions can be reasonably approximated based on well‐conditioned orbital populations without the need for a costly Hessian calculation.
Barbaro Zulueta, John A. Keith
wiley   +1 more source

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