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  • Language: English

    Published by Intechopen, 2020

    1789852811 / 9781789852813

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  • Language: English

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    178985167X / 9781789851670

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  • Language: English

    Published by Intechopen, 2020

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    Condition: New. In English.

  • Language: English

    Published by Intechopen, 2019

    178985167X / 9781789851670

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  • Language: English

    Published by Intechopen, 2022

    1839698454 / 9781839698453

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  • Language: English

    Published by Intechopen, 2022

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  • Language: English

    Published by IntechOpen, 2022

    1839698454 / 9781839698453

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    Gebundene Ausgabe. Condition: Neu. Density Functional Theory (DFT) is a powerful technique for calculating and comprehending the molecular and electrical structure of atoms, molecules, clusters, and solids. Its use is based not only on the capacity to calculate the molecular characteristics of the species of interest but also on the provision of interesting concepts that aid in a better understanding of the chemical reactivity of the systems under study. This book presents examples of recent advances, new perspectives, and applications of DFT for the understanding of chemical reactivity through descriptors forming the basis of Conceptual DFT as well as the application of the theory and its related computational procedures in the determination of the molecular properties of different systems of academic, social, and industrial interest. Sprache: Englisch Gewicht in Gramm: 860.…

  • Language: English

    Published by IntechOpen, 2020

    1789852811 / 9781789852813

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    Gebundene Ausgabe. Condition: Neu. Solvents and ionic liquids are ubiquitous within our whole life since ancient times and their effects are actually being studied through basic sciences like Chemistry, Physics and Biology as well as being researched by a large number of scientific disciplines.This book represents an attempt to present examples on the utility of old and new solvents and the effects they exercise on several fields of academic and industrial interest. The first section, Solvents, presents information on bio-solvents and their synthesis, industrial production and applications, about per and trichloroethylene air monitoring in dry cleaners in the city of Sfax (Tunsia) and on the synthesis of polyimides using molten benzoic acid as the solvent. The second section, Ionic Liquids, shows information about the synthesis, physicochemical characterization and exploration of antimicrobial activities of imidazolium ionic liquid-supported Schiff base and its transition metal complexes, the technology of heterogenization of transition metal catalysts towards the synthetic applications in an ionic liquid matrix, the progress in ionic liquids as reaction media, monomers, and additives in high-performance polymers, a pre-screening of ionic liquids as gas hydrate inhibitor via application of COSMO-RS for methane hydrate, the extraction of aromatic compounds from their mixtures with alkanes from ternary to quaternary (or higher) systems and a review on ionic liquids as environmental benign solvent for cellulose chemistry. The final section, Solvent Effects, displays interesting information on solvent effects on dye sensitizers derived from anthocyanidins for applications in photocatalysis, about the solvent effect on a model of SNAr reaction in conventional and non-conventional solvents, and on solvent effects in supramolecular systems. Sprache: Englisch Gewicht in Gramm: 707.…

  • Language: English

    Published by IntechOpen, 2019

    178985167X / 9781789851670

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    Gebundene Ausgabe. Condition: Neu. Density Functional Theory (or DFT for short) is a potent methodology useful for calculating and understanding the molecular and electronic structure of atoms, molecules, clusters, and solids. Its use relies not only in the ability to calculate the molecular properties of the species of interest but also provides interesting concepts that allow a better comprehension of the chemical reactivity of the studied systems. This book represents an attempt to present examples on the utility of DFT for the understanding of the chemical reactivity through descriptors that constitute the basis of the so called Conceptual DFT (sometimes also named as Chemical Reactivity Theory) as well as the application of the theory and its related computational procedures in the determination of the molecular properties of different systems of academic and industrial interest. Sprache: Englisch Gewicht in Gramm: 512.…

  • Language: English

    Published by IntechOpen, 2020

    1789852811 / 9781789852813

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    HRD. Condition: New. New Book. Shipped from UK. THIS BOOK IS PRINTED ON DEMAND. Established seller since 2000.

  • Language: English

    Published by IntechOpen, 2019

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  • Language: English

    Published by IntechOpen, 2019

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  • Language: English

    Published by IntechOpen, 2020

    1789852811 / 9781789852813

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  • Language: English

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    Gebunden. Condition: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. KlappentextrnrnDensity Functional Theory (or DFT for short) is a potent methodology useful for calculating and understanding the molecular and electronic structure of atoms, molecules, clusters, and solids. Its use relies not only in the ability. …

  • Language: English

    Published by IntechOpen, 2020

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    Gebunden. Condition: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. KlappentextrnrnSolvents and ionic liquids are ubiquitous within our whole life since ancient times and their effects are actually being studied through basic sciences like Chemistry, Physics and Biology as well as being researched by a large num.…

  • Language: English

    Published by Intechopen Jan 2020, 2020

    1789852811 / 9781789852813

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    Buch. Condition: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware 258 pp. Englisch.

  • Language: English

    Published by Intechopen Jan 2019, 2019

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    Buch. Condition: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -Density Functional Theory (or DFT for short) is a potent methodology useful for calculating and understanding the molecular and electronic structure of atoms, molecules, clusters, and solids. Its use relies not only in the ability to calculate the molecular properties of the species of interest but also provides interesting concepts that allow a better comprehension of the chemical reactivity of the studied systems. This book represents an attempt to present examples on the utility of DFT for the understanding of the chemical reactivity through descriptors that constitute the basis of the so called Conceptual DFT (sometimes also named as Chemical Reactivity Theory) as well as the application of the theory and its related computational procedures in the determination of the molecular properties of different systems of academic and industrial interest. 166 pp. Englisch.…

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    Published by IntechOpen, 2022

    1839698454 / 9781839698453

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  • Language: English

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  • Language: English

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  • Language: English

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    Buch. Condition: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - Density Functional Theory (or DFT for short) is a potent methodology useful for calculating and understanding the molecular and electronic structure of atoms, molecules, clusters, and solids. Its use relies not only in the ability to calculate the molecular properties of the species of interest but also provides interesting concepts that allow a better comprehension of the chemical reactivity of the studied systems. This book represents an attempt to present examples on the utility of DFT for the understanding of the chemical reactivity through descriptors that constitute the basis of the so called Conceptual DFT (sometimes also named as Chemical Reactivity Theory) as well as the application of the theory and its related computational procedures in the determination of the molecular properties of different systems of academic and industrial interest.…

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    Language: English

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    Buch. Condition: Neu. Solvents, Ionic Liquids and Solvent Effects | Daniel Glossman-Mitnik (u. a.) | Buch | Englisch | 2020 | IntechOpen | EAN 9781789852813 | Verantwortliche Person für die EU: preigu GmbH & Co. KG, Lengericher Landstr. 19, 49078 Osnabrück, mail[at]preigu[dot]de | Anbieter: preigu Print on Demand.…

  • Language: English

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    Buch. Condition: Neu. Density Functional Theory | Daniel Glossman-Mitnik | Buch | 166 S. | Englisch | 2019 | IntechOpen | EAN 9781789851670 | Verantwortliche Person für die EU: BoD - Books on Demand, In de Tarpen 42, 22848 Norderstedt, info[at]bod[dot]de | Anbieter: preigu Print on Demand.

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    1839698454 / 9781839698453

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    Buch. Condition: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - Density Functional Theory (DFT) is a powerful technique for calculating and comprehending the molecular and electrical structure of atoms, molecules, clusters, and solids. Its use is based not only on the capacity to calculate the molecular characteristics of the species of interest but also on the provision of interesting concepts that aid in a better understanding of the chemical reactivity of the systems under study. This book presents examples of recent advances, new perspectives, and applications of DFT for the understanding of chemical reactivity through descriptors forming the basis of Conceptual DFT as well as the application of the theory and its related computational procedures in the determination of the molecular properties of different systems of academic, social, and industrial interest.…

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    Buch. Condition: Neu. This item is printed on demand - Print on Demand Titel. Neuware Books on Demand GmbH, Überseering 33, 22297 Hamburg 258 pp. Englisch.

  • Language: English

    Published by Intechopen Jan 2019, 2019

    178985167X / 9781789851670

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    Buch. Condition: Neu. This item is printed on demand - Print on Demand Titel. Neuware -Density Functional Theory (or DFT for short) is a potent methodology useful for calculating and understanding the molecular and electronic structure of atoms, molecules, clusters, and solids. Its use relies not only in the ability to calculate the molecular properties of the species of interest but also provides interesting concepts that allow a better comprehension of the chemical reactivity of the studied systems. This book represents an attempt to present examples on the utility of DFT for the understanding of the chemical reactivity through descriptors that constitute the basis of the so called Conceptual DFT (sometimes also named as Chemical Reactivity Theory) as well as the application of the theory and its related computational procedures in the determination of the molecular properties of different systems of academic and industrial interest.Books on Demand GmbH, Überseering 33, 22297 Hamburg 166 pp. Englisch.…

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    Gebunden. Condition: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. KlappentextrnrnDensity Functional Theory (DFT) is a powerful technique for calculating and comprehending the molecular and electrical structure of atoms, molecules, clusters, and solids. Its use is based not only on the capacity to calculate the. …

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    Published by Intechopen Mai 2022, 2022

    1839698454 / 9781839698453

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    Buch. Condition: Neu. This item is printed on demand - Print on Demand Titel. Neuware -Density Functional Theory (DFT) is a powerful technique for calculating and comprehending the molecular and electrical structure of atoms, molecules, clusters, and solids. Its use is based not only on the capacity to calculate the molecular characteristics of the species of interest but also on the provision of interesting concepts that aid in a better understanding of the chemical reactivity of the systems under study. This book presents examples of recent advances, new perspectives, and applications of DFT for the understanding of chemical reactivity through descriptors forming the basis of Conceptual DFT as well as the application of the theory and its related computational procedures in the determination of the molecular properties of different systems of academic, social, and industrial interest.Books on Demand GmbH, Überseering 33, 22297 Hamburg 330 pp. Englisch.…