Machine Learning in Chemistry

Machine Learning in Chemistry PDF Author: Jon Paul Janet
Publisher: American Chemical Society
ISBN: 0841299005
Category : Science
Languages : en
Pages : 189

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Book Description
Recent advances in machine learning or artificial intelligence for vision and natural language processing that have enabled the development of new technologies such as personal assistants or self-driving cars have brought machine learning and artificial intelligence to the forefront of popular culture. The accumulation of these algorithmic advances along with the increasing availability of large data sets and readily available high performance computing has played an important role in bringing machine learning applications to such a wide range of disciplines. Given the emphasis in the chemical sciences on the relationship between structure and function, whether in biochemistry or in materials chemistry, adoption of machine learning by chemistsderivations where they are important

Research Awards Index

Research Awards Index PDF Author:
Publisher:
ISBN:
Category : Medicine
Languages : en
Pages : 742

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Pincer Compounds

Pincer Compounds PDF Author: David Morales-Morales
Publisher: Elsevier
ISBN: 0128129328
Category : Science
Languages : en
Pages : 756

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Book Description
Pincer Compounds: Chemistry and Applications offers valuable state-of-the-art coverage highlighting highly active areas of research—from mechanistic work to synthesis and characterization. The book focuses on small molecule activation chemistry (particularly H2 and hydrogenation), earth abundant metals (such as Fe), actinides, carbene-pincers, chiral catalysis, and alternative solvent usage. The book covers the current state of the field, featuring chapters from renowned contributors, covering four continents and ranging from still-active pioneers to new names emerging as creative strong contributors to this fascinating and promising area. Over a decade since the publication of Morales-Morales and Jensen's The Chemistry of Pincer Compounds (Elsevier 2007), research in this unique area has flourished, finding a plethora of applications in almost every single branch of chemistry—from their traditional application as very robust and active catalysts all the way to potential biological and pharmaceutical applications. - Describes the chemistry and applications of this important class of organometallic and coordination compounds - Includes contributions from global leaders in the field, featuring pioneers in the area as well as emerging experts conducting exciting research on pincer complexes - Highlights areas of promising and active research, including small molecule activation, earth abundant metals, and actinide chemistry

Scientific and Technical Aerospace Reports

Scientific and Technical Aerospace Reports PDF Author:
Publisher:
ISBN:
Category : Aeronautics
Languages : en
Pages : 1508

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Research Grants Index

Research Grants Index PDF Author: National Institutes of Health (U.S.). Division of Research Grants
Publisher:
ISBN:
Category : Medicine
Languages : en
Pages : 1212

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Subject Index of Current Research Grants and Contracts Administered by the National Heart and Lung Institute

Subject Index of Current Research Grants and Contracts Administered by the National Heart and Lung Institute PDF Author: National Heart and Lung Institute
Publisher:
ISBN:
Category : Cardiology
Languages : en
Pages : 482

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Biomedical Index to PHS-supported Research

Biomedical Index to PHS-supported Research PDF Author:
Publisher:
ISBN:
Category : Medicine
Languages : en
Pages : 1104

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Subject Index of Current Research Grants and Contracts Administered by the National Heart, Lung and Blood Institute

Subject Index of Current Research Grants and Contracts Administered by the National Heart, Lung and Blood Institute PDF Author: National Heart, Lung, and Blood Institute
Publisher:
ISBN:
Category : Cardiovascular system
Languages : en
Pages : 484

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Computational Inorganic and Bioinorganic Chemistry

Computational Inorganic and Bioinorganic Chemistry PDF Author: Edward I. Solomon
Publisher: John Wiley & Sons
ISBN: 111861724X
Category : Science
Languages : en
Pages : 980

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Book Description
Over the past several decades there have been major advances in our ability to computationally evaluate the electronic structure of inorganic molecules, particularly transition metal systems. This advancement is due to the Moore’s Law increase in computing power as well as the impact of density functional theory (DFT) and its implementation in commercial and freeware programs for quantum chemical calculations. Improved pure and hybrid density functionals are allowing DFT calculations with accuracy comparable to high-level Hartree-Fock treatments, and the results of these calculations can now be evaluated by experiment. When calculations are correlated to, and supported by, experimental data they can provide fundamental insight into electronic structure and its contributions to physical properties and chemical reactivity. This interplay continues to expand and contributes to both improved value of experimental results and improved accuracy of computational predictions. The purpose of this EIC Book is to provide state-of-the-art presentations of quantum mechanical and related methods and their applications, written by many of the leaders in the field. Part 1 of this volume focuses on methods, their background and implementation, and their use in describing bonding properties, energies, transition states and spectroscopic features. Part 2 focuses on applications in bioinorganic chemistry and Part 3 discusses inorganic chemistry, where electronic structure calculations have already had a major impact. This addition to the EIC Book series is of significant value to both experimentalists and theoreticians, and we anticipate that it will stimulate both further development of the methodology and its applications in the many interdisciplinary fields that comprise modern inorganic and bioinorganic chemistry. This volume is also available as part of Encyclopedia of Inorganic Chemistry, 5 Volume Set. This set combines all volumes published as EIC Books from 2007 to 2010, representing areas of key developments in the field of inorganic chemistry published in the Encyclopedia of Inorganic Chemistry. Find out more.

Bibliography of Mass Spectroscopy Literature for 1970

Bibliography of Mass Spectroscopy Literature for 1970 PDF Author:
Publisher:
ISBN:
Category : Mass spectrometry
Languages : en
Pages : 900

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