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)

Chemistry – 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, Majid Shaker, Julien Steffen, Alexander Wolfram, Simon Steinbach, Lampros‐Pascal Gazetas, Norbert Jux, Andreas Görling, Hans‐Peter Steinrück, Ole Lytken   +9 more
wiley   +1 more source

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

Ibn 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

Confinement and saddle-point configurations

, 1992
Robert D. Mawhinney
openalex   +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

The 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, Djemima Bulanga, Hilary Rutto, Tumisang Seodigeng   +3 more
wiley   +1 more source

Investigation on the Thermal Dissociation of Vinyl Nitrite with a Saddle Point Involved. [PDF]

ACS Omega, 2019
Guan Y, Lou J, Ma H, Song J.
europepmc   +1 more source

The saddle point property in Hamiltonian systems

, 1990
Gerhard Sorger
openalex   +1 more source

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

ChemPhysChem, 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, Prajay Patel, Chang Yan, Cong Liu   +3 more
wiley   +1 more source

Preconditioners for the geometry optimisation and saddle point search of molecular systems. [PDF]

Sci Rep, 2018
Mones L, Ortner C, Csányi G.
europepmc   +1 more source

Testing the Boundary Conditions of General Relativity Near the Earth-Sun Saddle Point

, 1998
T. D. Martin
openalex   +2 more sources

Vibrational Partition Functions from Bond Order and Populations Relationships

ChemPhysChem, 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