The MWF method for kinetic equations system [PDF]
Computers & Mathematics with Applications, 2009 zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Carlo Bianca +2 more
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, 2003 We propose a new method called the Kinetic Meshless Method (KMM), for the solution of time-dependent conservation laws that can be derived from a Boltzmann-type equation by taking suitable moments. An important characteristic of this method is its grid-free nature; it is able to use any type of grid or combination of grids, or even some distribution of
Chandrashekar, Praveen, Deshpande, SM
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A Novel High-Throughput FLIPR Tetra Based Method for Capturing Highly Confluent Kinetic Data for Structure-Kinetic Relationship Guided Early Drug Discovery [PDF]
, 2020 Target engagement by small-molecules is necessary for producing a physiological outcome. In the past, a lot of emphasis was placed on understanding the thermodynamics of such interactions to guide structure-activity relationship.
Puneet, Khurana +4 more
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Gaussian accelerated molecular dynamics with the weighted ensemble method: a hybrid method improves thermodynamic and kinetic sampling [PDF]
, 2021 Gaussian accelerated molecular dynamics (GaMD) is a well-established enhanced sampling method for molecular dynamics (MD) simulations that effectively samples the potential energy landscape of the system by adding a boost potential, which smoothens the ...
Rommie, Amaro +3 more
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Kinetic Study of Disulfonimide Catalyzed Cyanosilylation of Aldehyde Using a Method of Progress Rates [PDF]
, 2020 Kinetic study of organic reactions, especially multistep catalytic reactions, is crucial to in-depth understanding of reaction mechanisms. Here we report our kinetic study of the chiral disulfonimide catalyzed cyanosilylation of aldehyde, which reveals ...
Benjamin, List +2 more
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A hybrid off-lattice kinetic Monte Carlo/molecular dynamics method for amorphous thin film growth [PDF]
, 2023 The ability to understand and model the growth of amorphous thin films on solid surfaces is essential to a wide range of industrial applications, from the deposition of wear-resistant coatings to the production of solar cells.
James Patrick, Ewen +3 more
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Enzymatic kinetic method for determination of propranolol hydrochloride in pharmaceuticals based on its inhibitory effect on cholinesterase [PDF]
Hemijska Industrija, 2012 Propranolol, a widely used beta-blocker, inhibits the reaction of enzyme cholinesterase hydrolysis. Measurements of the hydrolysis rate differences between and inhibited reactions, allows the development of a kinetic method for its determination. Both
Mandić Ljuba M. +4 more
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Energies, 2022 Biomass pyrolysis is considered as a thermochemical conversion system that is performed under oxygen-depleted conditions. A large body of literature exists in which thermodynamic equilibrium (TE) and kinetic approaches have been applied to predict ...
Sahar Safarian +2 more
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Conservative numerical methods for model kinetic equations [PDF]
, 2007 A new conservative discrete ordinate method for nonlinear model kinetic equations is proposed. The conservation property with respect to the collision integral is achieved by satisfying at the discrete level approximation conditions used in deriving the ...
Titarev, Vladimir A.
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The Activation-Relaxation Technique : ART nouveau and kinetic ART [PDF]
, 2012 The evolution of many systems is dominated by rare activated events that occur on timescale ranging from nanoseconds to the hour or more. For such systems, simulations must leave aside the full thermal description to focus specifically on mechanisms that
Brommer, Peter +8 more
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