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Chemical modelling covers a wide range of disciplines, and this book is the first stop for any chemist, materials scientist, biochemist, or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling.
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Quantum Chemical Models (Nobel Lecture)
Angewandte Chemie International Edition, 1999The solving of chemical problems to which the answer is unknown or in dispute is the important objective of each theoretical model. How far quantum chemistry has come in this respect is described here for the ab initio concept, which is known to just about every chemist under the name GAUSSIAN.
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1997
Over centuries of development of science, it gradually became clear that our theories are unable to reflect the “physical reality” in all its complexity but can only supply models which describe certain aspects of some phenomena. The Newtonian mechanics, the Maxwellian electrodynamics, thermodynamics, statistical physics, the special and the general ...
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Over centuries of development of science, it gradually became clear that our theories are unable to reflect the “physical reality” in all its complexity but can only supply models which describe certain aspects of some phenomena. The Newtonian mechanics, the Maxwellian electrodynamics, thermodynamics, statistical physics, the special and the general ...
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Chemical models of oxidative phosphorylation
Journal of Bioenergetics and Biomembranes, 1976Chemical 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 ...
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1971
Solubility data form the basis for the calculation of primary precipitation from any given solution of the system. From these calculations different models result which depend upon the conditions selected. It seems highly improbable that the actual conditions existing in nature can be adequately represented by one of these models.
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Solubility data form the basis for the calculation of primary precipitation from any given solution of the system. From these calculations different models result which depend upon the conditions selected. It seems highly improbable that the actual conditions existing in nature can be adequately represented by one of these models.
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2011
A model in the here discussed form is first of all a description of complex processes in nature. This starts with a description by words or graphics (conceptual model) and goes up to complex mathematical or numerical simulation models that run on supercomputers. The complexity of a model is determined by several factors.
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A model in the here discussed form is first of all a description of complex processes in nature. This starts with a description by words or graphics (conceptual model) and goes up to complex mathematical or numerical simulation models that run on supercomputers. The complexity of a model is determined by several factors.
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2019
In this chapter, you will learn about ways for modeling the chemical diversity found in metabolic pathways in nature. Organisms have evolved enzymes, i.e., specialized proteins to carry out chemical transformations that produce the compounds required for life.
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In this chapter, you will learn about ways for modeling the chemical diversity found in metabolic pathways in nature. Organisms have evolved enzymes, i.e., specialized proteins to carry out chemical transformations that produce the compounds required for life.
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2018
Interstellar clouds are harsh environments exposed to a energetic radiation, where the survival of molecules does not seem favorable. However, molecules are found in many different types of interstellar clouds. The study of molecules has a twofold interest.
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Interstellar clouds are harsh environments exposed to a energetic radiation, where the survival of molecules does not seem favorable. However, molecules are found in many different types of interstellar clouds. The study of molecules has a twofold interest.
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