Results 251 to 260 of about 25,447,146 (290)

Exploring the Use of Large Language Models (LLMs) in Chemical Engineering Education: Building Core Course Problem Models

Education for Chemical Engineers, 2023
Meng-Lin Tsai, Chong Wei Ong, Cheng-Liang Chen   +2 more
semanticscholar   +1 more source

Chemical models and radiation damage

Philosophical Transactions of the Royal Society of London. B, Biological Sciences, 1985
E.s.r. spectroscopy has been used in conjunction with an aqueous flow system to investigate both the metal-catalysed decomposition of hydrogen peroxide to OH* and the subsequent reactions of this radical with a variety of biomolecules. Particular emphasis is placed on the effects of pH and ligand on the Fe II —H
M, Fitchett, B C, Gilbert, M, Jeff
openaire   +2 more sources

Chemical Modelling

2009
Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials.
openaire   +1 more source

Tutorial: The modelling of chemical processes

Analytica Chimica Acta, 2009
The modelling of chemical processes entails the computation of the concentration profiles of all reaction species as a function of the reaction time. The basis for the calculations is the system of differential equations (ODE's) that is defined by the reaction mechanism.
McCann, Nichola, Maeder, Marcel
openaire   +2 more sources

Sensitivity Analysis for Chemical Models

ChemInform, 2005
AbstractFor Abstract see ChemInform Abstract in Full Text.
Andrea, Saltelli, Marco, Ratto, Stefano, Tarantola, Francesca, Campolongo   +3 more
openaire   +2 more sources

Chemical language models enable navigation in sparsely populated chemical space

Nature Machine Intelligence, 2021
M. Skinnider, R. Stacey, D. Wishart, L. Foster   +3 more
semanticscholar   +1 more source

Generative Models for Chemical Structures

Journal of Chemical Information and Modeling, 2010
We apply recently developed techniques for pattern recognition to construct a generative model for chemical structure. This approach can be viewed as ligand-based de novo design. We construct a statistical model describing the structural variations present in a set of molecules which may be sampled to generate new structurally similar examples.
White, David, Wilson, Richard C.
openaire   +3 more sources

Chemical models of oxidative phosphorylation

Journal of Bioenergetics and Biomembranes, 1976
Chemical models for coupling oxidation to phosphorylation are summarized and examined both from the standpoint of organic reaction mechanisms and with respect to their relevance to mitochondria and chloroplasts. In order to accelerate the progress of our research in bioenergetics, it is suggested to focus at least as much attention on structural ...
openaire   +2 more sources

A comparison of chemical and chemodynamical models

Astrophysics and Space Science, 2003
Representative results from a comparison of the chemical evolution of spherical collapse models without and with a intercloud medium are presented. The hot metal-rich gas distributes quickly the metals produced in supernovae throughout the galaxy, thus leading to a more homogeneous chemical evolution and flatter metallicity gradients in the gas and the
openaire   +1 more source

A Chemical Model of Homeostasis

Angewandte Chemie International Edition, 2001
Helmut H, Zepik, Eveline, Blöchliger, Pier Luigi, Luisi   +2 more
openaire   +2 more sources