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Molecular Modelling for Reactor Design

Annual Review of Chemical and Biomolecular Engineering, 2018
Chemical reactor modelling based on insights and data on a molecular level has become reality over the last few years. Multiscale models describing elementary reaction steps and full microkinetic schemes, pore structures, multicomponent adsorption and diffusion inside pores, and entire reactors have been presented.
openaire   +2 more sources

Model Studies in Molecular Recognition

Science, 1987
Recognition at the molecular level is a fundamental characteristic of biochemical systems. Recent models developed in bioorganic chemistry have revealed the importance of complementarity in size, shape, and functional groups in molecular recognition.
openaire   +2 more sources

A probabilistic model for molecular systems

Fundam. Informaticae, 2005
Summary: We introduce a model for molecular reactions based on probabilistic rewriting rules. We give a probabilistic algorithm for rule applications as a semantics for the model, and we show how a probabilistic transition system can be derived from it.
BARBUTI, ROBERTO   +4 more
openaire   +3 more sources

Molecular imaging in oncology: Current impact and future directions

Ca-A Cancer Journal for Clinicians, 2022
Steven P Rowe, Martin G Pomper
exaly  

MOLECULAR MODELLER

Journal of Biomolecular Structure and Dynamics, 1990
openaire   +2 more sources

Molecular modeling system

Journal of Molecular Biology, 1972
T H, Jacobi, R A, Ellis, J M, Fritsch
openaire   +2 more sources

From molecular to supramolecular electronics

Nature Reviews Materials, 2021
Hongliang Chen   +2 more
exaly  

A Molecular Model for Thalassemia*

Annals of the New York Academy of Sciences, 1964
openaire   +2 more sources

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