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The Application of Quantum Mechanics in Reactivity of Molecules
Over recent decades, the increase in computational resources, coupled with the popularity of competitive quantum mechanics alternatives (particularly DFT), has promoted the widespread penetration of quantum mechanics calculations into a variety of fields targeting the reactivity of molecules. This book presents a selection of original research papers and review articles illustrating diverse applications of quantum mechanics in the study of problems involving molecules and their reactivity.
Kinetics and Dynamics
"Kinetics and Dynamics" on molecular modeling of dynamic processes opens with an introductory overview before discussing approaches to reactivity of small systems in the gas phase. Then it examines studies of systems of increasing complexity up to the dynamics of DNA. This title has interdisciplinary character presenting wherever possible an interplay between the theory and the experiment. It provides basic information as well as the details of theory and examples of its application to experimentalists and theoreticians interested in modeling of dynamic processes in chemical and biochemical systems. All contributing authors are renowned experts in their fields and topics covered in this volume represent the forefront of today’s science.
Frontiers in Chemistry: Editor's Pick 2022
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.
Women in Chemistry 2023
We are delighted to present the 2023 Women in Chemistry article collection. Following the celebration of International Women’s Day 2023 and the UNESCO International Day of Women and Girls in Science, Frontiers in Chemistry is proud to offer this platform to promote the work of women in this field. At present, less than 30% of researchers worldwide are women. Long-standing biases and gender stereotypes are discouraging women and girls away from science-related fields, and STEM research in particular. Science and gender equality are, however, essential to ensure sustainable development as highlighted by UNESCO. In order to change traditional mindsets, gender equality must be promoted, stereotypes defeated, and girls and women should be encouraged to pursue STEM careers.
Frontiers in Quantum Methods and Applications in Chemistry and Physics
This edited, multi-author volume contains 14 selected, peer–reviewed contributions based on the presentations given at the 18th International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP XVIII), held at Casa da Cultura de Paraty, Rio de Janeiro, Brazil, in December 2013. It is divided into several sections written by leaders in the respective fields of quantum methodology applied to atomic molecular and condensed matter systems, each containing the most relevant material based on related topics. Recent advances and state-of-the-art developments in the quantum theory of atomic, molecular and condensed matter systems (including bio and nano structures) are presented.
Advanced Methods in Structural Biology
This volume explores the latest integrated bioprocesses and technologies used to study the production of the target recombinant protein of therapeutic or diagnostic interest; its isolation, purification, and stabilization; and the bio-interaction and structural analyses. The chapters in this book are organized into four parts. Part One covers production methods of soluble and membrane proteins in prokaryotic and eukaryotic expression systems, such as Lactococcus lactis and Escherichia coli. Part Two describes traditional and novel approaches for recombinant protein purification and stabilization, and buffers and additives. Part Three discusses automated methods in structural biology based on...
The Chemistry of Biofilms and Their Inhibitors
This eBook is a collection of articles from a Frontiers Research Topic. Frontiers Research Topics are very popular trademarks of the Frontiers Journals Series: they are collections of at least ten articles, all centered on a particular subject. With their unique mix of varied contributions from Original Research to Review Articles, Frontiers Research Topics unify the most influential researchers, the latest key findings and historical advances in a hot research area! Find out more on how to host your own Frontiers Research Topic or contribute to one as an author by contacting the Frontiers Editorial Office: frontiersin.org/about/contact.
Ligand-Macromolecular Interactions in Drug Discovery
In this authoritative book, experts in the field highlight the main principles and methodologies currently utilized in the study of molecular interactions between compounds. This is as an ideal guide to those striving to further our knowledge of medicines.
