Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Tambov University Reports Series Natural and Technical Sciences

Применение расширенной версии классической термодинамики для расчета химических процессов. Квантовый подход

Viktor Vasilievich Dubrovin

Published Jan 1, 2011• 0 citations
OpenAlex

Abstract

The article considers the kinetics of one-phase chemical reactions from position of extended version of classic thermodynamics. The notion of macro-cell as a physical object is used. On the one hand, the volume of such macro-cell has maximal macroscopic volume and postulates of quantum mechanics are acceptable for it. On the other hand, it is minimal macroscopic volume and some classic notions are acceptable. Chemical process is considered from the position of quantum mechanics in the article.

Related papers

The Quantum Mechanics of Chemical Reaction

R. M. Langer

It is shown that the quantum mechanics is capable of describing processes which have all the aspects of certain chemical reactions. It turns out that a system may change from one configuration to another when a quantum level of the one configuration has the same energy as a quantum level of the other. Among such reactions mention is made and some discussion given of the large classes of molecular rearrangements, and decompositions, including radioactive disintegration. The dependence on pressure and temperature is slightly discussed and it is indicated that the present theory quite explains the necessity of the old "activation hypothesis" of Arrhenius. The old notions should, however, be modified to take into account that it is not sufficient to have at least the "activation energy" but the molecule must be in a particular state to react. Moreover when there are several "activated" states the rate of reaction from different ones may be very different indeed. Insight is gained into the nature of certain types of catalytic action including special wall catalyses. Some features of photochemical reactions are made clear by the theory.

Physical Review•Jul 1, 1929•20 citations

Квантовомеханическое взаимодействие, безмассовое и безэнергетическое (Квантовохронометрическое представление)

Штерн Александр Геннадиевич, Штерн Павел Геннадиевич

Microscopic phenomena, in the part available to supervision and measurements which are carried out by means of comparisons of the phenomena with macroscopic changes, by means of introduction of the idea of intervals between disappearance of the previous one and emergence of the subsequent one, are compared with pieces of the chain of macro-changes, it leads to introduction of the notion of time as the only means to describe results of supervision and measurements. In this case, the theory which does not contain unobserved magnitudes, is nothing more than a system of ratios and ratios changes between above-mentioned intervals. The presented work — creation of the description of the quantum mechanical interaction which does not include unobserved magnitudes, based on impossibility to judge about objects free from interaction, and abstract from intercation which existence — is a fruit of imagination about what does not have a certain position in relation to similar ones, especially capable to a certain change. The word “mechanics” in the work is used due to the historical tradition to denote thematic charachteristic of the work. In the work are made equations coinciding in a form with Schrodinger’s equations, where the contained magnitudes have different physical maintenance.

Austrian Journal of Technical and Natural Sciences•Jan 1, 2015•0 citations

Theoretical Chemistry en route to a Theory of Chemistry

Anton Amann, Werner Gans

Abstract Quantum mechanical and classical aspects are of equal importance in chemistry, and theoretical chemistry must be able to deal with this situation. Classical quantities with which a chemist has to deal include, for example, the temperature and the chemical potential of a substance, and chirality, knot‐type and tertiary structures of molecules. Classical concepts of this type are no more consequences of traditional quantum chemistry than is the theory of complex chemical processes (for example adsorption, heterogeneous catalysis) and macroscopic systems. Algebraic quantum mechanics affords a general framework for the discussion of classical quantities and large systems. There are other independent approaches for the theoretical treatment of chemical problems; these can be summarized by using the keywords “fractals”, “chaotic motion”, “quasicrystals” and “knot theory”. The relationships between these four research topics and their connection with algebraic quantum mechanics, as well as their importance for theoretical chemistry, were discussed at a NATO Workshop in 1987 (see Ref. [1]). In an extended theoretical chemistry, the notion of “molecules” will not play a role as central as it does in quantum chemistry. In the theory of large systems in particular, the introduction of complementary approaches appears to be appropriate; the term “molecule” as used by the chemist does not appear either in the description of disordered systems by means of fractals or in the thermodynamic limit of algebraic statistical mechanics.

Angewandte Chemie International Edition in English•Mar 1, 1989•20 citations

A Quantum Finite Automata Approach to Modeling the Chemical Reactions

Amandeep Singh Bhatia, Shenggen Zheng

In recent years, the modeling interest has increased significantly from the molecular level to the atomic and quantum scale. The field of computational chemistry plays a significant role in designing computational models for the operation and simulation of systems ranging from atoms and molecules to industrial-scale processes. It is influenced by a tremendous increase in computing power and the efficiency of algorithms. The representation of chemical reactions using classical automata theory in thermodynamic terms had a great influence on computer science. The study of chemical information processing with quantum computational models is a natural goal. In this paper, we have modeled chemical reactions using two-way quantum finite automata, which are halted in linear time. Additionally, classical pushdown automata can be designed for such chemical reactions with multiple stacks. It has been proven that computational versatility can be increased by combining chemical accept/reject signatures and quantum automata models.

arXiv:2007.03976•Frontiers in Physics•Nov 10, 2020•5 citations

Вывод формулы связи энергии и частоты в макрои микромеханике

Кочетков Андрей Викторович, Федотов Петр Викторович, Шашков Игорь Геннадиевич +1 more

In article it is declared that creation of nuclear physics if will require new laws, any new representations it isn''t required. In Einstein''s formula anything quantum in the received formula isn''t present, and there is only a linear dependence of energy of fluctuations on frequency. For creation of classical nuclear physics and acceptance of postulates of Pine forest, but any more as empirical postulates and as normal classical laws of physics, aren''t present need to change any representations (as it it is taught now), and it is enough to adopt as the fact only two laws distinguishing macromechanics and micromechanics, but not contradicting classical physics. Gravitational waves (gravitational photons) don''t exist, and, the second, the kinetic moment of an impulse of orbital movement of electrons in atom has always one and too value, unlike a similar constant in the Newtonian mechanics. In all the rest nuclear mechanics differs nothing from usual Newtonian.

Интернет-журнал Науковедение•Jan 1, 2014•0 citations

From Quantum Theory To Mind-Matter Interaction: Where's The Missing Link?

Navjot Singh Gadda

Overwhelming empirical evidence suggests that consciousness may be fundamentally linked to properties of physical systems. Quantum coherence in biological molecules, as well as entangled states of macroscopic objects such as brains, are important examples that support this notion. If we consider the quantum effects that seem most relevant to biology (e.g., coherence, entanglement, superposition), does it become feasible to identify general rules for observing biological function arising from processes associated with quantum mechanics? What implications would follow if a scientific theory were formulated to describe the interplay between brain functioning and quantum uncertainty? Such a framework will require additional postulates on the nature of quantum interactions in condensed phase systems. One challenge for present day theorists is whether and how classical and quantum mechanics may ultimately provide an integrated description of physics. This article will explore the issues related to quantum theory's ability to address mind-body phenomena and their connection to consciousness.

•Jun 2, 2022•3 citations
The article considers the kinetics of one-phase chemical reactions from position of extended version of classic thermodynamics. The notion of macro-cell as a physical object is used. On the one hand, the volume of such macro-cell has maximal macroscopic volume and postulates of quantum mechanics are acceptable for it. On the other hand, it is minimal macroscopic volume and some classic notions are acceptable. Chemical process is considered from the position of quantum mechanics in the article.
It is shown that the quantum mechanics is capable of describing processes which have all the aspects of certain chemical reactions. It turns out that a system may change from one configuration to another when a quantum level of the one configuration has the same energy as a quantum level of the other. Among such reactions mention is made and some discussion given of the large classes of molecular rearrangements, and decompositions, including radioactive disintegration. The dependence on pressure and temperature is slightly discussed and it is indicated that the present theory quite explains the necessity of the old "activation hypothesis" of Arrhenius. The old notions should, however, be modified to take into account that it is not sufficient to have at least the "activation energy" but the molecule must be in a particular state to react. Moreover when there are several "activated" states the rate of reaction from different ones may be very different indeed. Insight is gained into the nature of certain types of catalytic action including special wall catalyses. Some features of photochemical reactions are made clear by the theory.
Microscopic phenomena, in the part available to supervision and measurements which are carried out by means of comparisons of the phenomena with macroscopic changes, by means of introduction of the idea of intervals between disappearance of the previous one and emergence of the subsequent one, are compared with pieces of the chain of macro-changes, it leads to introduction of the notion of time as the only means to describe results of supervision and measurements. In this case, the theory which does not contain unobserved magnitudes, is nothing more than a system of ratios and ratios changes between above-mentioned intervals. The presented work — creation of the description of the quantum mechanical interaction which does not include unobserved magnitudes, based on impossibility to judge about objects free from interaction, and abstract from intercation which existence — is a fruit of imagination about what does not have a certain position in relation to similar ones, especially capable to a certain change. The word “mechanics” in the work is used due to the historical tradition to denote thematic charachteristic of the work. In the work are made equations coinciding in a form with Schrodinger’s equations, where the contained magnitudes have different physical maintenance.
Abstract Quantum mechanical and classical aspects are of equal importance in chemistry, and theoretical chemistry must be able to deal with this situation. Classical quantities with which a chemist has to deal include, for example, the temperature and the chemical potential of a substance, and chirality, knot‐type and tertiary structures of molecules. Classical concepts of this type are no more consequences of traditional quantum chemistry than is the theory of complex chemical processes (for example adsorption, heterogeneous catalysis) and macroscopic systems. Algebraic quantum mechanics affords a general framework for the discussion of classical quantities and large systems. There are other independent approaches for the theoretical treatment of chemical problems; these can be summarized by using the keywords “fractals”, “chaotic motion”, “quasicrystals” and “knot theory”. The relationships between these four research topics and their connection with algebraic quantum mechanics, as well as their importance for theoretical chemistry, were discussed at a NATO Workshop in 1987 (see Ref. [1]). In an extended theoretical chemistry, the notion of “molecules” will not play a role as central as it does in quantum chemistry. In the theory of large systems in particular, the introduction of complementary approaches appears to be appropriate; the term “molecule” as used by the chemist does not appear either in the description of disordered systems by means of fractals or in the thermodynamic limit of algebraic statistical mechanics.
In recent years, the modeling interest has increased significantly from the molecular level to the atomic and quantum scale. The field of computational chemistry plays a significant role in designing computational models for the operation and simulation of systems ranging from atoms and molecules to industrial-scale processes. It is influenced by a tremendous increase in computing power and the efficiency of algorithms. The representation of chemical reactions using classical automata theory in thermodynamic terms had a great influence on computer science. The study of chemical information processing with quantum computational models is a natural goal. In this paper, we have modeled chemical reactions using two-way quantum finite automata, which are halted in linear time. Additionally, classical pushdown automata can be designed for such chemical reactions with multiple stacks. It has been proven that computational versatility can be increased by combining chemical accept/reject signatures and quantum automata models.
In article it is declared that creation of nuclear physics if will require new laws, any new representations it isn''t required. In Einstein''s formula anything quantum in the received formula isn''t present, and there is only a linear dependence of energy of fluctuations on frequency. For creation of classical nuclear physics and acceptance of postulates of Pine forest, but any more as empirical postulates and as normal classical laws of physics, aren''t present need to change any representations (as it it is taught now), and it is enough to adopt as the fact only two laws distinguishing macromechanics and micromechanics, but not contradicting classical physics. Gravitational waves (gravitational photons) don''t exist, and, the second, the kinetic moment of an impulse of orbital movement of electrons in atom has always one and too value, unlike a similar constant in the Newtonian mechanics. In all the rest nuclear mechanics differs nothing from usual Newtonian.
Overwhelming empirical evidence suggests that consciousness may be fundamentally linked to properties of physical systems. Quantum coherence in biological molecules, as well as entangled states of macroscopic objects such as brains, are important examples that support this notion. If we consider the quantum effects that seem most relevant to biology (e.g., coherence, entanglement, superposition), does it become feasible to identify general rules for observing biological function arising from processes associated with quantum mechanics? What implications would follow if a scientific theory were formulated to describe the interplay between brain functioning and quantum uncertainty? Such a framework will require additional postulates on the nature of quantum interactions in condensed phase systems. One challenge for present day theorists is whether and how classical and quantum mechanics may ultimately provide an integrated description of physics. This article will explore the issues related to quantum theory's ability to address mind-body phenomena and their connection to consciousness.