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Affiner la rechercheComputational organic chemistry / Steven M. Bachrach
Titre : Computational organic chemistry Type de document : texte imprimé Auteurs : Steven M. Bachrach, Auteur Mention d'édition : 2e ed. Editeur : wiley Année de publication : s.d Importance : 607p. Présentation : ill. couv. ill. en coul. Format : 25*16 cm. ISBN/ISSN/EAN : 978-1-11-829192-4 Note générale : Fundamentals of organic chemistry
Pericyclic reactions
Diradicals and carbenes
Organic reactions of anions
Solution–phase organic chemistry
Organic reaction dynamicsLangues : Français (fre) Résumé : The Second Edition of author Steven Bachrach s highly acclaimed Computational Organic Chemistry reflects the tremendous advances in computational methods since the publication of the First Edition, explaining how these advances have shaped our current understanding of organic chemistry. Readers familiar with the First Edition will discover new and revised material in all chapters, including new case studies and examples. There s also a new chapter dedicated to computational enzymology that demonstrates how principles of quantum mechanics applied to organic reactions can be extended to biological systems.
Computational Organic Chemistry covers a broad range of problems and challenges in organic chemistry where computational chemistry has played a significant role in developing new theories or where it has provided additional evidence to support experimentally derived insights. Readers do not have to be experts in quantum mechanics. The first chapter of the book introduces all of the major theoretical concepts and definitions of quantum mechanics followed by a chapter dedicated to computed spectral properties and structure identification. Next, the book covers:
Fundamentals of organic chemistry
Pericyclic reactions
Diradicals and carbenes
Organic reactions of anions
Solution–phase organic chemistry
Organic reaction dynamics
Computational organic chemistry [texte imprimé] / Steven M. Bachrach, Auteur . - 2e ed. . - [S.l.] : wiley, s.d . - 607p. : ill. couv. ill. en coul. ; 25*16 cm.
ISBN : 978-1-11-829192-4
Fundamentals of organic chemistry
Pericyclic reactions
Diradicals and carbenes
Organic reactions of anions
Solution–phase organic chemistry
Organic reaction dynamics
Langues : Français (fre)
Résumé : The Second Edition of author Steven Bachrach s highly acclaimed Computational Organic Chemistry reflects the tremendous advances in computational methods since the publication of the First Edition, explaining how these advances have shaped our current understanding of organic chemistry. Readers familiar with the First Edition will discover new and revised material in all chapters, including new case studies and examples. There s also a new chapter dedicated to computational enzymology that demonstrates how principles of quantum mechanics applied to organic reactions can be extended to biological systems.
Computational Organic Chemistry covers a broad range of problems and challenges in organic chemistry where computational chemistry has played a significant role in developing new theories or where it has provided additional evidence to support experimentally derived insights. Readers do not have to be experts in quantum mechanics. The first chapter of the book introduces all of the major theoretical concepts and definitions of quantum mechanics followed by a chapter dedicated to computed spectral properties and structure identification. Next, the book covers:
Fundamentals of organic chemistry
Pericyclic reactions
Diradicals and carbenes
Organic reactions of anions
Solution–phase organic chemistry
Organic reaction dynamics
Exemplaires
Code-barres Cote Support Localisation Section Disponibilité F-T 3045/05 23-03-081 Ouvrage Bibliothèque de la Faculté de Technologie Génie de procédés Disponible BC2014/3045-2 BC.06-04-029 Ouvrage Bibliothèque Universitaire Centrale Chimie Disponible BC2014/3045-3 BC.06-04-029 Ouvrage Bibliothèque Universitaire Centrale Chimie Disponible BC2014/3045-1 BC.06-04-029 Ouvrage Bibliothèque Universitaire Centrale Chimie Disponible Advances in chemical physics / Stuart A. Rice
Titre : Advances in chemical physics Type de document : texte imprimé Auteurs : Stuart A. Rice, Auteur ; Aaroun R. Dinner, Auteur Editeur : wiley Année de publication : 2014 Importance : 285p. Présentation : couv.ill. Format : 15*24 cm. ISBN/ISSN/EAN : 978-1-11-875577-8 Langues : Français (fre) Résumé : Each volume of the Advances in Chemical Physics series discusses aspects of the state of diverse subjects in chemical physics and related fields, with chapters written by top researchers in the field. Reviews published in Advances in Chemical Physics are typically longer than those published in journals, providing the space needed for readers to fully grasp the topic, including fundamentals, latest discoveries, applications, and emerging avenues of research.
Volume 155 explores:
Modeling viral capsid assembly
Charges at aqueous interfaces, including the development of computational approaches in direct contact with the experiment
Theory and simulation advances in solute precipitate nucleation
A computational viewpoint of water in the liquid state
Construction of energy functions for lattice heteropolymer models, including efficient encodings for constraint satisfaction programming and quantum annealing
Advances in Chemical Physics is ideal for introducing novices to topics in chemical physics and serves as the perfect supplement to any advanced graduate class devoted to its study. The series also provides the foundation needed for more experienced researchers to advance research studies.Advances in chemical physics [texte imprimé] / Stuart A. Rice, Auteur ; Aaroun R. Dinner, Auteur . - [S.l.] : wiley, 2014 . - 285p. : couv.ill. ; 15*24 cm.
ISBN : 978-1-11-875577-8
Langues : Français (fre)
Résumé : Each volume of the Advances in Chemical Physics series discusses aspects of the state of diverse subjects in chemical physics and related fields, with chapters written by top researchers in the field. Reviews published in Advances in Chemical Physics are typically longer than those published in journals, providing the space needed for readers to fully grasp the topic, including fundamentals, latest discoveries, applications, and emerging avenues of research.
Volume 155 explores:
Modeling viral capsid assembly
Charges at aqueous interfaces, including the development of computational approaches in direct contact with the experiment
Theory and simulation advances in solute precipitate nucleation
A computational viewpoint of water in the liquid state
Construction of energy functions for lattice heteropolymer models, including efficient encodings for constraint satisfaction programming and quantum annealing
Advances in Chemical Physics is ideal for introducing novices to topics in chemical physics and serves as the perfect supplement to any advanced graduate class devoted to its study. The series also provides the foundation needed for more experienced researchers to advance research studies.Exemplaires
Code-barres Cote Support Localisation Section Disponibilité F-T 3000/6 23-03-066 Ouvrage Bibliothèque de la Faculté de Technologie Génie de procédés Disponible BC2014/3000-1 BC.06-04-039 Ouvrage Bibliothèque Universitaire Centrale Chimie Exclu du prêt BC2014/3000-2 BC.06-04-039 Ouvrage Bibliothèque Universitaire Centrale Chimie Disponible Quantum information and computation for chemistry / Sabre Kais
Titre : Quantum information and computation for chemistry : advances in chemical physics Type de document : texte imprimé Auteurs : Sabre Kais, Auteur ; Stuart A. Rice, Auteur Editeur : wiley Année de publication : 2014 Importance : 655p. Présentation : ill. couv. ill. en coul. Format : 25*16 cm. ISBN/ISSN/EAN : 978-1-11-849566-7 Langues : Français (fre) Résumé : The only series available to explore cutting–edge research in chemical physics, Advances in Chemical Physics, Quantum Information and Computation for Chemistry, Volume 154 focuses on liquid polymorphism, with a generous cross–section of research that questions established thinking. The articles scrutinize the evidence for and against, and inquire into the possibility and consequences of, the existence of more than one liquid phase in a pure substance. This guest–edited volume provides a useful introduction for graduate students and researchers. Quantum information and computation for chemistry : advances in chemical physics [texte imprimé] / Sabre Kais, Auteur ; Stuart A. Rice, Auteur . - [S.l.] : wiley, 2014 . - 655p. : ill. couv. ill. en coul. ; 25*16 cm.
ISBN : 978-1-11-849566-7
Langues : Français (fre)
Résumé : The only series available to explore cutting–edge research in chemical physics, Advances in Chemical Physics, Quantum Information and Computation for Chemistry, Volume 154 focuses on liquid polymorphism, with a generous cross–section of research that questions established thinking. The articles scrutinize the evidence for and against, and inquire into the possibility and consequences of, the existence of more than one liquid phase in a pure substance. This guest–edited volume provides a useful introduction for graduate students and researchers. Exemplaires
Code-barres Cote Support Localisation Section Disponibilité F-T 2999/4 23-03-065 Ouvrage Bibliothèque de la Faculté de Technologie Génie de procédés Disponible BC2014/2999-2 BC.06-04-033 Ouvrage Bibliothèque Universitaire Centrale Chimie Disponible BC2014/2999-3 BC.06-04-033 Ouvrage Bibliothèque Universitaire Centrale Chimie Disponible Trayed and packed columns / Collectif
Titre : Trayed and packed columns : a guide to performance evaluation Type de document : texte imprimé Auteurs : Collectif, Auteur Mention d'édition : 3 emme ed. Editeur : wiley Année de publication : s.d Importance : 138p. Présentation : couv.ill. Format : 26*19cm. ISBN/ISSN/EAN : 978-1-11-862771-6 Langues : Français (fre) Résumé : Opening with an extensive definition section, organized by topical area, the book then goes on to address:
Selection of instrumentation and identification of elements to be measured
Pre-test planning procedures
Strategies for data collection and evaluation, including sampling procedures
Pre-test, in-test, and post-test considerations (equipment, safety, process, environmental)
Computation and interpretation of results, including individual breakdowns for trayed and packed columns in terms of hydraulic and efficiency performance
Test troubleshooting analysis in twelve key areas
The book concludes with appendices for relevant symbols and nomenclature, plus sample caculations generated from performance tests.
With its engineer-tested procedures and thorough explanations, Trayed and Packed Columns: A Guide to Performance Evaluation, Third Edition is an essential text for anyone engaged in implementing new technology in equipment design, identifying process problems, and optimizing equipment performance.Trayed and packed columns : a guide to performance evaluation [texte imprimé] / Collectif, Auteur . - 3 emme ed. . - [S.l.] : wiley, s.d . - 138p. : couv.ill. ; 26*19cm.
ISBN : 978-1-11-862771-6
Langues : Français (fre)
Résumé : Opening with an extensive definition section, organized by topical area, the book then goes on to address:
Selection of instrumentation and identification of elements to be measured
Pre-test planning procedures
Strategies for data collection and evaluation, including sampling procedures
Pre-test, in-test, and post-test considerations (equipment, safety, process, environmental)
Computation and interpretation of results, including individual breakdowns for trayed and packed columns in terms of hydraulic and efficiency performance
Test troubleshooting analysis in twelve key areas
The book concludes with appendices for relevant symbols and nomenclature, plus sample caculations generated from performance tests.
With its engineer-tested procedures and thorough explanations, Trayed and Packed Columns: A Guide to Performance Evaluation, Third Edition is an essential text for anyone engaged in implementing new technology in equipment design, identifying process problems, and optimizing equipment performance.Exemplaires
Code-barres Cote Support Localisation Section Disponibilité F-T 3001/4 23-03-067 Ouvrage Bibliothèque de la Faculté de Technologie Génie de procédés Disponible BC2014/3001-1 BC.06-04-050 Ouvrage Bibliothèque Universitaire Centrale Chimie Exclu du prêt BC2014/3001-3 BC.06-04-050 Ouvrage Bibliothèque Universitaire Centrale Chimie Disponible Chemical risk assessment / Peter Fisk Associates
Titre : Chemical risk assessment : a manual for reach Type de document : texte imprimé Auteurs : Peter Fisk Associates, Auteur Editeur : wiley Année de publication : 2014 Importance : 393p. Présentation : couv.ill. Format : 25*16 cm. ISBN/ISSN/EAN : 978-1-11-995368-5 Langues : Français (fre) Résumé : This book is an essential guide and support tounderstanding of the science and policy, procedure and practicethat underpins the REACH risk assessments required for the use andplacing on the market of chemicals in the European Union. A clearunderstanding of information provision and how this affects theassessment of chemical safety is fundamentally important to thesuccess of policy on chemicals and ultimately to the sustainabilityof the chemicals industry.
Within the book, the scientific processes that underpin thepolicy are explained in a practical way. Importantly,it includes coverage of techniques to help solve the problems ofusing potentially risky and hazardous chemicals through the use ofless hazardous alternatives and green chemistry , andalso the analysis of the risks of the use of the most hazardoussubstances against the social and economic benefits ofuse.
Chemical Risk Assessment: A Manual for REACH coversthe following main themes: i) Assessment of chemical risk; ii)Risk management; iii) Hazard reduction, substitution and greenchemistry; iv) Risk versus benefit socio–economicanalysis.
The book acts as a practical guide and overview tochemicals risk assessment and risk management (in the EU context),as well as a support text for planning for the challenges of thefuture, which will see ever–increasing pressure to withdrawhazardous substances from the EU (and global) market, balancedagainst opportunities for innovation in the development of lesshazardous chemicals.Chemical risk assessment : a manual for reach [texte imprimé] / Peter Fisk Associates, Auteur . - [S.l.] : wiley, 2014 . - 393p. : couv.ill. ; 25*16 cm.
ISBN : 978-1-11-995368-5
Langues : Français (fre)
Résumé : This book is an essential guide and support tounderstanding of the science and policy, procedure and practicethat underpins the REACH risk assessments required for the use andplacing on the market of chemicals in the European Union. A clearunderstanding of information provision and how this affects theassessment of chemical safety is fundamentally important to thesuccess of policy on chemicals and ultimately to the sustainabilityof the chemicals industry.
Within the book, the scientific processes that underpin thepolicy are explained in a practical way. Importantly,it includes coverage of techniques to help solve the problems ofusing potentially risky and hazardous chemicals through the use ofless hazardous alternatives and green chemistry , andalso the analysis of the risks of the use of the most hazardoussubstances against the social and economic benefits ofuse.
Chemical Risk Assessment: A Manual for REACH coversthe following main themes: i) Assessment of chemical risk; ii)Risk management; iii) Hazard reduction, substitution and greenchemistry; iv) Risk versus benefit socio–economicanalysis.
The book acts as a practical guide and overview tochemicals risk assessment and risk management (in the EU context),as well as a support text for planning for the challenges of thefuture, which will see ever–increasing pressure to withdrawhazardous substances from the EU (and global) market, balancedagainst opportunities for innovation in the development of lesshazardous chemicals.Exemplaires
Code-barres Cote Support Localisation Section Disponibilité F-T 3020/6 23-03-069 Ouvrage Bibliothèque de la Faculté de Technologie Génie de procédés Disponible BC2014/3020-2 BC.06-04-047 Ouvrage Bibliothèque Universitaire Centrale Chimie Disponible BC2014/3020-3 BC.06-04-047 Ouvrage Bibliothèque Universitaire Centrale Chimie Disponible Drug Benefits and Risks / Chris J. van Boxtel
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