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High Pressure Chemistry, Biochemistry and Materials Science

High Pressure Chemistry, Biochemistry and Materials Science
A Book

by R. Winter,Jiri Jonas

  • Publisher : Springer
  • Release : 2012-10-29
  • Pages : 645
  • ISBN : 9789401047449
  • Language : En, Es, Fr & De
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This monograph, which is the outcome of the ASI on High Pressure Chemistry, Biochemistry, and Materials Science, illustrates new developments in the field of high pressure science. In fact, for chemists, biochemists, and materials scientists, pressure as an experimental variable represents a tool which provides unique information about systems of materials studied. It is interesting to note how the growth of the high pressure field is also reflected in the content of the recent ASI's dealing with this field. The ASI High Pressure Chemistry held in 1977 was followed by the ASI High Pressure Chemistry and Biochemistry held in 1986, and the coverage of the present ASI also includes applications to materials science. In view of the teaching character of the ASI, it is natural that main contributions to this volume present overviews of the different subfields or applications of high pressure research. In contrast, contributed papers offer more specialized aspects of various high pressure studies. The various contributions to this volume make clear the impressive range of fundamental and applied problems that can be studied by high pressure techniques, and also point towards a major growth of high pressure science and technology in the near future. This ASI focused mainly on advances achieved in the six years since the previous ASI devoted to the high pressure field. The organization of this volume is as follows.

The Amide Linkage

The Amide Linkage
Structural Significance in Chemistry, Biochemistry, and Materials Science

by Arthur Greenberg,Curt M. Breneman,Joel F. Liebman

  • Publisher : John Wiley & Sons
  • Release : 2002-11-11
  • Pages : 653
  • ISBN : 9780471420255
  • Language : En, Es, Fr & De
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An authoritative reference to an important and ubiquitous chemical linkage The amide linkage is one of the most fundamental and widespread chemical bonds in nature, underlying the properties of a vast array of organic molecules, polymers, and materials, including peptides and proteins. Arthur Greenberg, Curt Breneman, and Joel Liebman's peerless text provides comprehensive coverage of the experimental, structural, and computational findings that shed light on the chemical and physical properties of the amide linkage, as well as its emerging applications in materials and biotechnology. Chapters in The Amide Linkage highlight how this chemical bond factors in the design of enzyme inhibitors, cyclic peptides, antibacterial agents, and emerging nanotechnology applications. This one-of-a-kind study also: * Discusses selected aspects of chemical reactions, structure, bonding, and energetics of the amide bond, including amide rotational barriers, stereochemistry, complexation, spectroscopy, and thermochemistry * Presents specific applications to supramolecular and stereospecific synthesis * Discusses key aspects of peptide and protein chemistry-such as molecular recognition, conformation, and folding-in terms of the amide linkage * Includes chapters contributed by numerous eminent chemists and biochemists Organic, medicinal, polymer, and physical chemists, as well as biochemists and materials scientists, will find The Amide Linkage to be an invaluable addition to their professional libraries.

Biochemistry for Materials Science

Biochemistry for Materials Science
Catalysts, Complexes and Proteins

by Akio Makishima

  • Publisher : Elsevier
  • Release : 2018-11-26
  • Pages : 329
  • ISBN : 012816896X
  • Language : En, Es, Fr & De
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Biochemistry for Materials Science: Catalysis, Complexes and Proteins unlocks recent developments in the field of biochemistry through a series of case studies, enabling materials scientists to harness these advances for innovation in their own field, from the design of bio-inspired materials, to the use of new classes of catalyst. The book is broken up into six independent parts that include an introduction to seven recent discoveries, a discussion of the fundamental knowledge and techniques of biochemistry, a look at a number of biochemical materials, and an exploration of the areas of life science, organic chemistry and inorganic-related materials. The book concludes with a discussion of cosmochemistry. Presents recent developments in biochemistry that can be harnessed for innovation in materials science Utilizes case studies to illustrate the application of various biochemistry concepts Provides readers with the fundamental knowledge of basic chemistry relating to life-forming materials, catalysis, etc.

Chemical Technology

Chemical Technology
Key Developments in Applied Chemistry, Biochemistry and Materials Science

by Nekane Guarrotxena,Gennady E. Zaikov,A. K. Haghi

  • Publisher : CRC Press
  • Release : 2015-03-02
  • Pages : 320
  • ISBN : 1482258978
  • Language : En, Es, Fr & De
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This collection presents a broad spectrum of chapters in the various branches of industrial chemistry, biochemistry, and materials science which demonstrate key developments in these rapidly changing fields. This book offers a valuable overview and myriad details on current chemical processes, products, and practices. The book serves a spectrum of individuals, from those who are directly involved in the chemical industry to others in related industries and activities. It provides not only the underlying science and technology for important industry sectors but also provides broad coverage of critical supporting topics. This new book: • Serves as a collection of chapters that highlights some important areas of current interest in industrial chemistry, biochemistry, and materials science • Focuses on topics with more advanced methods • Emphasizes precise mathematical development and actual experimental details • Analyzes theories to formulate and prove the physicochemical principles • Provides an up-to-date and thorough exposition of the present state of the art of complex materials • Familiarizes the reader with new aspects of the techniques used in the examination of polymers, including chemical, physicochemical, and purely physical methods of examination • Describes the types of techniques now available to the chemist and technician and discusses their capabilities, limitations, and applications

High Pressure Chemistry, Biochemistry and Materials Science

High Pressure Chemistry, Biochemistry and Materials Science
A Book

by R. Winter,Jiri Jonas

  • Publisher : Springer Science & Business Media
  • Release : 2012-12-06
  • Pages : 645
  • ISBN : 9401116997
  • Language : En, Es, Fr & De
GET BOOK

This monograph, which is the outcome of the ASI on High Pressure Chemistry, Biochemistry, and Materials Science, illustrates new developments in the field of high pressure science. In fact, for chemists, biochemists, and materials scientists, pressure as an experimental variable represents a tool which provides unique information about systems of materials studied. It is interesting to note how the growth of the high pressure field is also reflected in the content of the recent ASI's dealing with this field. The ASI High Pressure Chemistry held in 1977 was followed by the ASI High Pressure Chemistry and Biochemistry held in 1986, and the coverage of the present ASI also includes applications to materials science. In view of the teaching character of the ASI, it is natural that main contributions to this volume present overviews of the different subfields or applications of high pressure research. In contrast, contributed papers offer more specialized aspects of various high pressure studies. The various contributions to this volume make clear the impressive range of fundamental and applied problems that can be studied by high pressure techniques, and also point towards a major growth of high pressure science and technology in the near future. This ASI focused mainly on advances achieved in the six years since the previous ASI devoted to the high pressure field. The organization of this volume is as follows.

Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile

Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile
In Honor of William A. Goddard’s Contributions to Science and Engineering

by Sadasivan Shankar,Richard Muller,Thom Dunning,Guan Hua Chen

  • Publisher : Springer
  • Release : 2021-01-26
  • Pages : 1343
  • ISBN : 9783030187774
  • Language : En, Es, Fr & De
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This book provides a broad and nuanced overview of the achievements and legacy of Professor William (“Bill”) Goddard in the field of computational materials and molecular science. Leading researchers from around the globe discuss Goddard’s work and its lasting impacts, which can be seen in today’s cutting-edge chemistry, materials science, and biology techniques. Each section of the book closes with an outline of the prospects for future developments. In the course of a career spanning more than 50 years, Goddard’s seminal work has led to dramatic advances in a diverse range of science and engineering fields. Presenting scientific essays and reflections by students, postdoctoral associates, collaborators and colleagues, the book describes the contributions of one of the world’s greatest materials and molecular scientists in the context of theory, experimentation, and applications, and examines his legacy in each area, from conceptualization (the first mile) to developments and extensions aimed at applications, and lastly to de novo design (the last mile). Goddard’s passion for science, his insights, and his ability to actively engage with his collaborators in bold initiatives is a model for us all. As he enters his second half-century of scientific research and education, this book inspires future generations of students and researchers to employ and extend these powerful techniques and insights to tackle today’s critical problems in biology, chemistry, and materials. Examples highlighted in the book include new materials for photocatalysts to convert water and CO2 into fuels, novel catalysts for the highly selective and active catalysis of alkanes to valuable organics, simulating the chemistry in film growth to develop two-dimensional functional films, and predicting ligand–protein binding and activation to enable the design of targeted drugs with minimal side effects.

Recent Topics in Advanced Materials Science

Recent Topics in Advanced Materials Science
Element by Element

by Akio Makishima

  • Publisher : Cambridge Scholars Publishing
  • Release : 2020-02-26
  • Pages : 510
  • ISBN : 1527547663
  • Language : En, Es, Fr & De
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The range of materials science is very vast, and its development is proportionally rapid. This book picks up and explains various topics of materials science using figures and chemical formulae for readers who have a knowledge of chemistry at the undergraduate level. In order to view the progress of materials science, the book is divided into four parts, the first three of which relate topics concerning typical elements, transition elements, and lanthanide and actinide. The fourth section details innovative issues in materials science.

Quantum Chemistry

Quantum Chemistry
A Concise Introduction for Students of Physics, Chemistry, Biochemistry, and Materials Science

by Ajit J. Thakkar

  • Publisher : Unknown Publisher
  • Release : 2014-07-01
  • Pages : 126
  • ISBN : 9781627054164
  • Language : En, Es, Fr & De
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This book is designed to help the non-specialist user of spectroscopic measurements and electronic structure computations to achieve a basic understanding of the underlying concepts of quantum chemistry. The book can be used to teach introductory quantum chemistry to second-or third-year undergraduates either as a stand-alone one-semester course or as part of a physical chemistry or materials science course. Researchers in related fields can use the book as a quick introduction or refresher.

Quantum Chemistry

Quantum Chemistry
A Concise Introduction for Students of Physics, Chemistry, Biochemistry and Materials Science

by A J Thakkar

  • Publisher : Myprint
  • Release : 2014-06-16
  • Pages : 126
  • ISBN : 9781681748320
  • Language : En, Es, Fr & De
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Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile

Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile
In Honor of William A. Goddard's Contributions to Science and Engineering

by Sadasivan Shankar,Richard Muller,Thom Dunning,Guan Hua Chen

  • Publisher : Springer Nature
  • Release : 2021
  • Pages : 1333
  • ISBN : 3030187780
  • Language : En, Es, Fr & De
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This book provides a broad and nuanced overview of the achievements and legacy of Professor William ("Bill") Goddard in the field of computational materials and molecular science. Leading researchers from around the globe discuss Goddard's work and its lasting impacts, which can be seen in today's cutting-edge chemistry, materials science, and biology techniques. Each section of the book closes with an outline of the prospects for future developments. In the course of a career spanning more than 50 years, Goddard's seminal work has led to dramatic advances in a diverse range of science and engineering fields. Presenting scientific essays and reflections by students, postdoctoral associates, collaborators and colleagues, the book describes the contributions of one of the world's greatest materials and molecular scientists in the context of theory, experimentation, and applications, and examines his legacy in each area, from conceptualization (the first mile) to developments and extensions aimed at applications, and lastly to de novo design (the last mile). Goddard's passion for science, his insights, and his ability to actively engage with his collaborators in bold initiatives is a model for us all. As he enters his second half-century of scientific research and education, this book inspires future generations of students and researchers to employ and extend these powerful techniques and insights to tackle today's critical problems in biology, chemistry, and materials. Examples highlighted in the book include new materials for photocatalysts to convert water and CO2 into fuels, novel catalysts for the highly selective and active catalysis of alkanes to valuable organics, simulating the chemistry in film growth to develop two-dimensional functional films, and predicting ligand-protein binding and activation to enable the design of targeted drugs with minimal side effects.

Encyclopedia of Physics and Chemistry and Biochemistry of Metals and Materials

Encyclopedia of Physics and Chemistry and Biochemistry of Metals and Materials
Synthesis, Properties and Applications

by Alexandar Borydyuk

  • Publisher : Unknown Publisher
  • Release : 2013-04
  • Pages : 1160
  • ISBN : 9781781542873
  • Language : En, Es, Fr & De
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This encyclopedia is for faculty and postgraduate research students in materials science and technology and related disciplines (especially physics, Chemistry and Biochemistry, engineering and biomedical science) and researchers and staff in government, or industrial institutes, working in materials science and related areas.

Materials Science & Engineering

Materials Science & Engineering
Biomimetic and supramolecular systems. C

by Anonim

  • Publisher : Unknown Publisher
  • Release : 2007
  • Pages : 129
  • ISBN : 9876543210XXX
  • Language : En, Es, Fr & De
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Handbook of Porphyrin Science

Handbook of Porphyrin Science
With Applications to Chemistry, Physics, Materials Science, Engineering, Biology and Medicine. Biochemistry of tetrapyrroles, part II

by Anonim

  • Publisher : Unknown Publisher
  • Release : 2012
  • Pages : 414
  • ISBN : 9789814335508
  • Language : En, Es, Fr & De
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Porphyrins, phthalocyanines and their numerous analogues and derivatives are materials of tremendous importance in chemistry, materials science, physics, biology and medicine. They are the red color in blood (heme) and the green in leaves (chlorophyll); they are also excellent ligands that can coordinate with almost every metal in the Periodic Table. Grounded in natural systems, porphyrins are incredibly versatile and can be modified in many ways; each new modification yields derivatives, demonstrating new chemistry, physics and biology, with a vast array of medicinal and technical applications. As porphyrins are currently employed as platforms for study of theoretical principles and applications in a wide variety of fields, the Handbook of Porphyrin Science represents a timely ongoing series dealing in detail with the synthesis, chemistry, physicochemical and medical properties and applications of polypyrrole macrocycles. Professors Karl Kadish, Kevin Smith and Roger Guilard are internationally recognized experts in the research field of porphyrins, each having his own separate area of expertise in the field. Between them, they have published over 1500 peer-reviewed papers and edited more than three dozen books on diverse topics of porphyrins and phthalocyanines. In assembling the new volumes of this unique handbook, they have selected and attracted the very best scientists in each sub-discipline as contributing authors. This handbook will prove to be a modern authoritative treatise on the subject as it is a collection of up-to-date works by world-renowned experts in the field. Complete with hundreds of figures, tables and structural formulas, and thousands of literature citations, all researchers and graduate students in this field will find the Handbook of Porphyrin Science an essential, major reference source for many years to come.

High Pressure Molecular Science

High Pressure Molecular Science
A Book

by R. Winter,Jiri Jonas

  • Publisher : Springer Science & Business Media
  • Release : 2012-12-06
  • Pages : 559
  • ISBN : 9401146691
  • Language : En, Es, Fr & De
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For chemists, biochemists, physicists and materials scientists, pressure as an experimental variable represents a tool that provides unique information about the microscopic properties of the materials being studied. In addition to its use as a research tool for investigating the energetics, structure, dynamics and kinetics of molecular transformations of materials, pressure is also being used to modify the properties of materials to preserve or improve their properties. The contributions collected here cover the main areas of high pressure research, including applications in materials science, condensed matter physics, chemistry and biochemistry. In addition, some papers offer more specialised aspects of high pressure studies. The book makes clear the impressive range of fundamental and applied problems that can be studied by high pressure techniques and also points towards a major growth of high pressure science and technology in the near future.

Materials Science and Chemical Engineering

Materials Science and Chemical Engineering
A Book

by Jin Yun,Dehuai Zeng

  • Publisher : Trans Tech Publication
  • Release : 2013
  • Pages : 1012
  • ISBN : 9783037856758
  • Language : En, Es, Fr & De
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Collection of selected, peer reviewed papers from the 2013 International Conference on Materials Science and Chemical Engineering (MSCE 2013), February 20-21, 2013, Singapore, Singapore. The papers are grouped as follows: Chapter 1: Chemical Engineering and Technology; Chapter 2: Material Science and Engineering; Chapter 3: Environmental Chemistry, Biochemistry, Pharmacology and Food Chemistry; Chapter 4: Technologies of Materials Processing; Chapter 5: Related Topics.

Handbook of Porphyrin Science

Handbook of Porphyrin Science
With Applications to Chemistry, Physics, Materials Science, Engineering, Biology and Medicine. Biochemistry of tetrapyrroles

by Anonim

  • Publisher : Unknown Publisher
  • Release : 2011
  • Pages : 551
  • ISBN : 9789814322386
  • Language : En, Es, Fr & De
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Porphyrins, phthalocyanines and their numerous analogues and derivatives are materials of tremendous importance in chemistry, materials science, physics, biology and medicine. They are the red color in blood (heme) and the green in leaves (chlorophyll); they are also excellent ligands that can coordinate with almost every metal in the Periodic Table. Grounded in natural systems, porphyrins are incredibly versatile and can be modified in many ways; each new modification yields derivatives, demonstrating new chemistry, physics and biology, with a vast array of medicinal and technical applications. As porphyrins are currently employed as platforms for study of theoretical principles and applications in a wide variety of fields, the Handbook of Porphyrin Science represents a timely ongoing series dealing in detail with the synthesis, chemistry, physicochemical and medical properties and applications of polypyrrole macrocycles. Professors Karl Kadish, Kevin Smith and Roger Guilard are internationally recognized experts in the research field of porphyrins, each having his own separate area of expertise in the field. Between them, they have published over 1500 peer-reviewed papers and edited more than three dozen books on diverse topics of porphyrins and phthalocyanines. In assembling the new volumes of this unique Handbook, they have selected and attracted the very best scientists in each sub-discipline as contributing authors. This Handbook will prove to be a modern authoritative treatise on the subject as it is a collection of up-to-date works by world-renowned experts in the field. Complete with hundreds of figures, tables and structural formulas, and thousands of literature citations, all researchers and graduate students in this field will find the Handbook of Porphyrin Science an essential, major reference source for many years to come. Contents: Volume 11 : Catalysis and Bio-Inspired Systems - Part II; Volume 12 : Applications; Volume 13 : Synthesis and Structural Studies; Volume 14 : Biochemistry of Tetrapyrroles - Part I; Volume 15 : Theoretical, Electron Transfer and Physical Studies.

Materials Science, Machinery and Energy Engineering

Materials Science, Machinery and Energy Engineering
A Book

by Guo Hui Yang

  • Publisher : Trans Tech Publications Ltd
  • Release : 2013-12-24
  • Pages : 726
  • ISBN : 3038263362
  • Language : En, Es, Fr & De
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Volume is indexed by Thomson Reuters CPCI-S (WoS). Collection of selected, peer reviewed papers from the 2013 International Conference on Materials Science, Machinery and Energy Engineering (MSMEE 2013), December 24-25, 2013, Hong Kong. The 120 papers are grouped as follows: Chapter 1: Polymer Materials and Composite Materials; Chapter 2: Metals Materials and Building Materials; Chapter 3: Biochemistry Materials and Engineering; Chapter 4: Energy Science and Environmental Engineering; Chapter 5: Manufacturing Science and Engineering; Chapter 6: Mechatronics and Microelectronics; Chapter 7: Computer and Internet Application

Selenium and Tellurium Reagents

Selenium and Tellurium Reagents
In Chemistry and Materials Science

by Risto Laitinen,Raija Oilunkaniemi

  • Publisher : Walter de Gruyter GmbH & Co KG
  • Release : 2019-04-01
  • Pages : 466
  • ISBN : 311052810X
  • Language : En, Es, Fr & De
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Selenium and Tellurium Reagents provides an in-depth overview of recent advances on the chemistry of these elements. Written by internationally recognized experts, it gives insight into the synthesis, structure, analysis and mechanistic studies of these compounds. The book is organized into four parts which reflect the applications of Se and Te reagents in four areas: inorganic chemistry, organic chemistry, materials science and biochemistry.

Computational Molecular Science

Computational Molecular Science
A Book

by Peter R. Schreiner,Wesley D. Allen,Modesto Orozco,Walter Thiel,Peter Willett

  • Publisher : Wiley
  • Release : 2014-04-14
  • Pages : 3456
  • ISBN : 9780470723074
  • Language : En, Es, Fr & De
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Easy access to information on all aspects of molecular computations Order the six-volume set today and benefit from the special introductory price – full details below Computational Molecular Science is the successor of the highly acclaimed Encyclopedia of Computational Chemistry, which was published by Wiley in 1998, and is the ultimate resource on all aspects of computational chemistry and its applications in chemistry, biology and materials science. Capturing the interdisciplinary flavour of the field, authors address key topics from differing perspectives such as chemistry, biology and materials science. In order to make the material accessible to students, practitioners and researchers alike the content is presented at different depths and levels in a range of article types: Overviews provide broad and non-technical treatment of important topics at an accessible level Key areas of research in the style of leading review journals are presented in Advanced Reviews for researchers and advanced students Focus Articles present short, technical contributions describing specific real-world issues, e.g. implementations etc. Software Reviews feature specific software packages of high utility in the field, with an emphasis on their capabilities and implementation rather than methodology Opinions present individual perspectives from thought leaders in the field A special focus has been placed on computations and modeling of relevant biomolecules which are essential to new developments in medicinal chemistry. Covering all areas relevant to the understanding of computational molecular methods the content is structured in the following sections: Computer and Information Science includes a wide range of techniques and applications used in cheminformatics, such as artificial intelligence, patent information, semantic web, data mining, automated synthesis design, etc. Electronic Structure Theory covers computations of molecules based on ab initio quantum molecular methods and density functional theory Simulation Methods includes free energy methods, molecular dynamics, Monte-Carlo methods and molecular mechanics Software describes examples of commercial and shareware software packages for molecular computations and modeling Structure and Mechanism concentrates on applications in the areas of computational biochemistry and biophysics, computational materials science, molecular structures and dynamics, and reaction mechanisms Theoretical and Physical Chemistry includes reaction dynamics, kinetics and spectroscopy Experience the scope of content in Computational Molecular Science for yourself with a selection of free articles available to download now: Predictions of protein–RNA interactions Cheminformatics and the Semantic Web: adding value with linked data and enhanced provenance Density functional theory in materials science Metadynamics Noncovalent interactions in biochemistry All chapters included in Computational Molecular Science have also been published online in WIREs Computational Molecular Science between January 2011 and June 2014. WIREs Computational Molecular Science Wiley Interdisciplinary Reviews, or short WIREs, combine the best possible features of major online reference works (didactic structure, high visibility, fast searches, and electronic accessibility) with the completeness, rigor, and overall high quality of review journals. WIREs Computational Molecular Science uses all the advantages of the WIREs concept and is the logical online successor of the highly acclaimed Encyclopedia of Computational Chemistry. As a review journal WIREs Computational Molecular Science includes all the material published in the book edition and will continue to publish much more material in the future, establishing itself as THE REVIEW JOURNAL in the field of computational chemistry and biology, offering the following advantages: An impact factor of 5.783 according to 2012 ISI Journal Citation Reports with the following Ranking: 1/47 (Mathematical & Computational Biology) and 22/152 (Chemistry Multidisciplinary) Indexed in all major A&I services such as CAS, TRSI and Scopus Important new forum to promote cross-disciplinary research on computational chemistry, biochemistry and materials science Authoritative, encyclopedic resource addressing key topics from diverse research perspectives Recommend that your librarian requests a free trial for your institution, click here For further information about WIREs Computational Molecular Science and other WIREs titles visit www.wires.wiley.com/compmolsci

Computational Molecular Science

Computational Molecular Science
A Book

by Peter R. Schreiner,Wesley D. Allen,Modesto Orozco,Walter Thiel,Peter Willett

  • Publisher : Wiley
  • Release : 2014-04-14
  • Pages : 3456
  • ISBN : 9780470723074
  • Language : En, Es, Fr & De
GET BOOK

Easy access to information on all aspects of molecular computations Order the six-volume set today and benefit from the special introductory price – full details below Computational Molecular Science is the successor of the highly acclaimed Encyclopedia of Computational Chemistry, which was published by Wiley in 1998, and is the ultimate resource on all aspects of computational chemistry and its applications in chemistry, biology and materials science. Capturing the interdisciplinary flavour of the field, authors address key topics from differing perspectives such as chemistry, biology and materials science. In order to make the material accessible to students, practitioners and researchers alike the content is presented at different depths and levels in a range of article types: Overviews provide broad and non-technical treatment of important topics at an accessible level Key areas of research in the style of leading review journals are presented in Advanced Reviews for researchers and advanced students Focus Articles present short, technical contributions describing specific real-world issues, e.g. implementations etc. Software Reviews feature specific software packages of high utility in the field, with an emphasis on their capabilities and implementation rather than methodology Opinions present individual perspectives from thought leaders in the field A special focus has been placed on computations and modeling of relevant biomolecules which are essential to new developments in medicinal chemistry. Covering all areas relevant to the understanding of computational molecular methods the content is structured in the following sections: Computer and Information Science includes a wide range of techniques and applications used in cheminformatics, such as artificial intelligence, patent information, semantic web, data mining, automated synthesis design, etc. Electronic Structure Theory covers computations of molecules based on ab initio quantum molecular methods and density functional theory Simulation Methods includes free energy methods, molecular dynamics, Monte-Carlo methods and molecular mechanics Software describes examples of commercial and shareware software packages for molecular computations and modeling Structure and Mechanism concentrates on applications in the areas of computational biochemistry and biophysics, computational materials science, molecular structures and dynamics, and reaction mechanisms Theoretical and Physical Chemistry includes reaction dynamics, kinetics and spectroscopy Experience the scope of content in Computational Molecular Science for yourself with a selection of free articles available to download now: Predictions of protein–RNA interactions Cheminformatics and the Semantic Web: adding value with linked data and enhanced provenance Density functional theory in materials science Metadynamics Noncovalent interactions in biochemistry All chapters included in Computational Molecular Science have also been published online in WIREs Computational Molecular Science between January 2011 and June 2014. WIREs Computational Molecular Science Wiley Interdisciplinary Reviews, or short WIREs, combine the best possible features of major online reference works (didactic structure, high visibility, fast searches, and electronic accessibility) with the completeness, rigor, and overall high quality of review journals. WIREs Computational Molecular Science uses all the advantages of the WIREs concept and is the logical online successor of the highly acclaimed Encyclopedia of Computational Chemistry. As a review journal WIREs Computational Molecular Science includes all the material published in the book edition and will continue to publish much more material in the future, establishing itself as THE REVIEW JOURNAL in the field of computational chemistry and biology, offering the following advantages: An impact factor of 5.783 according to 2012 ISI Journal Citation Reports with the following Ranking: 1/47 (Mathematical & Computational Biology) and 22/152 (Chemistry Multidisciplinary) Indexed in all major A&I services such as CAS, TRSI and Scopus Important new forum to promote cross-disciplinary research on computational chemistry, biochemistry and materials science Authoritative, encyclopedic resource addressing key topics from diverse research perspectives Recommend that your librarian requests a free trial for your institution, click here For further information about WIREs Computational Molecular Science and other WIREs titles visit www.wires.wiley.com/compmolsci