Physical Chemistry and Chemical Physics Editor's Pick 2021 PDF Download

Author: Malgorzata Biczysko
Publisher: Frontiers Media SA
ISBN: 2889711102
Category : Science
Languages : en
Pages : 193

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Author: Frontiers in Chemistry Editorial Office
Publisher: Frontiers Media SA
ISBN: 288976480X
Category : Science
Languages : en
Pages : 377

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Book Description
We are pleased to introduce the 2022 Frontiers in Chemistry: Editor’s Pick collection, showcasing articles stimulating interest in the field, carefully selected in collaboration with our Field Chief Editor, Prof. Steven Suib, of University of Connecticut. With this ebook we aim to highlight and disseminate important findings across the domains of chemistry research, capturing the multidisciplinary and inclusive approach our journal takes towards advancing the field of chemistry and supporting new technological breakthroughs that help humanity live healthier lives on a healthy planet. 2021 was a year which saw our highest journal impact factor yet, international community growth, and a record-breaking number of articles to choose from. We wish to elevate the contributions made by authors, encourage readership and innovation through our open-access philosophies, and thank our Editorial Board for their continued hard work and collaboration.

Author: Steve Suib
Publisher: Frontiers Media SA
ISBN: 2889635805
Category :
Languages : en
Pages : 910

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Book Description
The Frontiers in Chemistry Editorial Office team are delighted to present the inaugural “Frontiers in Chemistry: Rising Stars” article collection, showcasing the high-quality work of internationally recognized researchers in the early stages of their independent careers. All Rising Star researchers featured within this collection were individually nominated by the Journal’s Chief Editors in recognition of their potential to influence the future directions in their respective fields. The work presented here highlights the diversity of research performed across the entire breadth of the chemical sciences, and presents advances in theory, experiment and methodology with applications to compelling problems. This Editorial features the corresponding author(s) of each paper published within this important collection, ordered by section alphabetically, highlighting them as the great researchers of the future. The Frontiers in Chemistry Editorial Office team would like to thank each researcher who contributed their work to this collection. We would also like to personally thank our Chief Editors for their exemplary leadership of this article collection; their strong support and passion for this important, community-driven collection has ensured its success and global impact. Laurent Mathey, PhD Journal Development Manager

Author: Fan Zhang
Publisher: Frontiers Media SA
ISBN: 2889667995
Category : Science
Languages : en
Pages : 192

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Author: Thomas Wisniewski
Publisher: Frontiers Media SA
ISBN: 2889711374
Category : Science
Languages : en
Pages : 143

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Author: Olaf Holderer
Publisher: Frontiers Media SA
ISBN: 2889714632
Category : Science
Languages : en
Pages : 134

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Author: Werner F. Kuhs
Publisher: Royal Society of Chemistry
ISBN: 0854043500
Category : Science
Languages : en
Pages : 721

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Book Description
Physics and Chemistry of Ice is an authoritative summary of state-of the-art research contributions from the world's leading scientists. A key selection of submissions from to the 11th International Conference on the Physics and Chemistry of Ice, 2006 are presented here with a foreword by Werner F. Kuhs. An invaluable resource, this book provides researchers and professionals with up-to-date coverage on a wide range of areas in ice science including: " Spectroscopic and diffraction studies " Molecular dynamics simulations " Studies of ice mechanics " Quantum mechanical ab initio calculations " Ice and hydrate crystal growth and inhibition studies " Bulk and surface properties of ice and gas hydrates " Snow physics and chemistry This insight into topical aspects of ice research is a key point of reference for physicists, chemists, galciologists, cryo-biologists and professionals working in the fields of ice and hydrogen bonding. The Editor Werner F. Kuhs is a Professor of Crystallography at the University of G÷ttingen, Germany and has a career spanning 25 years of research in the field of water ices and gas hydrates using diffraction methods, neutron and Raman spectroscopy, scanning electron microscopy, atomic force and molecular dynamics simulations. He was the Chair of the 11th International Conference on the Physics and Chemistry of Ice.

Author: Wolfgang Domcke
Publisher: World Scientific
ISBN: 9814483753
Category : Science
Languages : en
Pages : 857

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Book Description
It is widely recognized nowadays that conical intersections of molecular potential-energy surfaces play a key mechanistic role in the spectroscopy of polyatomic molecules, photochemistry and chemical kinetics. This invaluable book presents a systematic exposition of the current state of knowledge about conical intersections, which has been elaborated in research papers scattered throughout the chemical physics literature.Section I of the book provides a comprehensive analysis of the electronic-structure aspects of conical intersections. Section II shows the importance of conical intersections in chemical reaction dynamics and gives an overview of the computational techniques employed to describe the dynamics at conical intersections. Finally, Section III deals with the role of conical intersections in the fields of molecular spectroscopy and laser control of chemical reaction dynamics.This book has been selected for coverage in:• CC / Physical, Chemical & Earth Sciences• Chemistry Citation Index(tm)• Index to Scientific Book Contents® (ISBC)

Author: David Schiraldi
Publisher: CRC Press
ISBN: 1771883030
Category : Medical
Languages : en
Pages : 349

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Book Description
Written by highly regarded experts in the field, this book covers many of the major themes of chemical and biochemical physics, addressing important issues, from concept to technology to implementation. It provides new research and updates on a variety of issues in physical chemistry and biochemical physics. Many chapters include case studies and s

Author: Pavlo O. Dral
Publisher: Elsevier
ISBN: 0323886043
Category : Science
Languages : en
Pages : 702

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Book Description
Quantum chemistry is simulating atomistic systems according to the laws of quantum mechanics, and such simulations are essential for our understanding of the world and for technological progress. Machine learning revolutionizes quantum chemistry by increasing simulation speed and accuracy and obtaining new insights. However, for nonspecialists, learning about this vast field is a formidable challenge. Quantum Chemistry in the Age of Machine Learning covers this exciting field in detail, ranging from basic concepts to comprehensive methodological details to providing detailed codes and hands-on tutorials. Such an approach helps readers get a quick overview of existing techniques and provides an opportunity to learn the intricacies and inner workings of state-of-the-art methods. The book describes the underlying concepts of machine learning and quantum chemistry, machine learning potentials and learning of other quantum chemical properties, machine learning-improved quantum chemical methods, analysis of Big Data from simulations, and materials design with machine learning. Drawing on the expertise of a team of specialist contributors, this book serves as a valuable guide for both aspiring beginners and specialists in this exciting field. Compiles advances of machine learning in quantum chemistry across different areas into a single resource Provides insights into the underlying concepts of machine learning techniques that are relevant to quantum chemistry Describes, in detail, the current state-of-the-art machine learning-based methods in quantum chemistry