Abstract. We demonstrate the benefits of a convex geometric perspective for questions on chemical stoichiometry. We show that the balancing of chemical equations, the use of “mixtures ” to explain multiple stoichiometry, and the half-reaction for balancing redox actions all yield nice convex geometric inter-pretations. We also relate some natural questions on reaction mechanisms with the enumeration of lattice points in polytopes. Lastly, it is known that a given reaction mechanism imposes linear constraints on observed stoichiometries. We consider the inverse question of deducing reaction mechanism consisten
A large class of solid solution models are formulated on the premise that exchange of chemical speci...
Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Chemical and phase equilibria we...
AbstractOne of the most general chemical phenomena, isomerism, can be fruitfully described by variou...
ABSTRACT. In this work is induced a new topology of solutions of chemical equations by virtue of poi...
Modeling rate-controlled chemically reactive systems in biocatalysis, fuel combustion, material scie...
A new law of nature asserts that chemical equilibria and chemical kinetics are governed by fundament...
Abstract The extent of a chemical reaction has received little attention in the early stages of Chem...
The Law of Conservation of Mass (LCM) is one of the most important principles in chemistry. It appl...
We establish a Hessian geometric structure in chemical thermodynamics which describes chemical react...
AbstractSymmetry is analyzed at the atomic level (periodic system, chemical bonding, hybridization),...
This paper explores an alternative way to balancing equations of chemical reactions and understandin...
In this paper, we develop a formal definition of chemical space as a discrete metric space of molecu...
Motivated by recent progress on the interplay between graph theory, dynamics, and systems theory, we...
This thesis deals with computing the equilibrium composition of a multiple species reacting mixture....
In this paper we develop a formal definition of chemical space as a discrete metric space of molecul...
A large class of solid solution models are formulated on the premise that exchange of chemical speci...
Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Chemical and phase equilibria we...
AbstractOne of the most general chemical phenomena, isomerism, can be fruitfully described by variou...
ABSTRACT. In this work is induced a new topology of solutions of chemical equations by virtue of poi...
Modeling rate-controlled chemically reactive systems in biocatalysis, fuel combustion, material scie...
A new law of nature asserts that chemical equilibria and chemical kinetics are governed by fundament...
Abstract The extent of a chemical reaction has received little attention in the early stages of Chem...
The Law of Conservation of Mass (LCM) is one of the most important principles in chemistry. It appl...
We establish a Hessian geometric structure in chemical thermodynamics which describes chemical react...
AbstractSymmetry is analyzed at the atomic level (periodic system, chemical bonding, hybridization),...
This paper explores an alternative way to balancing equations of chemical reactions and understandin...
In this paper, we develop a formal definition of chemical space as a discrete metric space of molecu...
Motivated by recent progress on the interplay between graph theory, dynamics, and systems theory, we...
This thesis deals with computing the equilibrium composition of a multiple species reacting mixture....
In this paper we develop a formal definition of chemical space as a discrete metric space of molecul...
A large class of solid solution models are formulated on the premise that exchange of chemical speci...
Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Chemical and phase equilibria we...
AbstractOne of the most general chemical phenomena, isomerism, can be fruitfully described by variou...