Frontiers in Chemistry: Rising Stars


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




Frontiers in Applied Chemistry


Book Description

To Professor Sushil Kumar Mukherjee Commemorating His 75th Birthday, 1 January 1989




Frontiers in Computational Chemistry


Book Description

Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. The third volume of this series features four chapters covering in silico approaches to computer aided drug design, modeling of platinum and adjuvant anti-cancer drugs, allostery in proteins and studies on the theory of chemical space in electron systems.




Tin Chemistry


Book Description

Tin chemistry retains a place in contemporary science as an important element owing to its wide range of applications. New and exciting research is being generated on an annual basis from all parts of the world – the study of tin and its compounds attracts considerable interest from a range of perspectives such as organic synthesis, medicine, materials chemistry, catalysis and environment. Tin Chemistry – Fundamentals, Frontiers and Applications collects, in one comprehensive volume, authoritative and concise snapshots of modern tin chemistry in a full range of applications. Over forty of the leading tin chemistry experts have contributed reviews in six themes: fundamentals in tin chemistry materials chemistry and structural chemistry of tin compounds medicinal and biocidal applications of tin compounds tin in the environment tin in organic synthesis tin in catalysis Tin Chemistry – Fundamentals, Frontiers and Applications is an essential overview of modern perspectives on this important element for the specialist and non-specialist alike. It will promote cross-disciplinary interactions and at the same time be an essential teaching resource for advanced university classes.




Application of Optimization Algorithms in Chemistry


Book Description

This eBook is dedicated to Prof. William L. Hase, who passed away on Monday, March 23, 2020.




Applied Chemistry and Chemical Engineering, Volume 2


Book Description

This book covers many important aspects of applied chemistry and chemical engineering, focusing on three main aspects: principles, methodology and evaluation methods. It presents a selection of chapters on recent developments of theoretical, mathematical, and computational conceptions, as well as chapters on modeling and simulation of specific research themes covering applied chemistry and chemical engineering. This book attempts to bridge the gap between classical analysis and modern applications. Covering a selection of topics within the field of applied chemistry and chemical engineering, the book is divided into several parts: polymer chemistry and technology bioorganic and biological chemistry nanoscale technology selected topics This book is the second of the two-volume series Applied Chemistry and Chemical Engineering. The first volume is Volume 1: Mathematical and Analytical Techniques.




Beyond the Molecular Frontier


Book Description

Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.




Frontiers in Chemical Engineering


Book Description

In the next 10 to 15 years, chemical engineers have the potential to affect every aspect of American life and promote the scientific and industrial leadership of the United States. Frontiers in Chemical Engineering explores the opportunities available and gives a blueprint for turning a multitude of promising visions into realities. It also examines the likely changes in how chemical engineers will be educated and take their place in the profession, and presents new research opportunities.




Frontiers in Computational Chemistry: Volume 5


Book Description

Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. The fifth volume of this series features these six chapters: - Recent Advances and Role of Computational Chemistry in Drug Designing and Development on Viral Diseases - Molecular Modeling Applied to Design of Cysteine Protease Inhibitors – A Powerful Tool for the Identification of Hit Compounds Against Neglected Tropical Diseases - Application of Systems Biology Methods in Understanding the Molecular Mechanism of Signalling Pathways in the Eukaryotic System - Implementation of the Molecular Electrostatic Potential over GPUs: Large Systems as Main Target - Molecular Electron Density Theory: A New Theoretical Outlook on Organic Chemistry - Frontier Molecular Orbital Approach to the Cycloaddition Reactions




Green Chemistry


Book Description

The history of environmental protection has dealt with hazardous substances by cleaning them up or treating them after the substances have formed. Green Chemistry, however, designs products and processes so that no hazardous materials are used or made in the first place. With applications fromplastic to paints, from automobiles to pharmaceuticals, Green Chemistry is revolutionising science and industry and its impact on the environment.