Quantum & theoretical chemistry books

This book presents a unified description of binding equilibrium for a wide variety of systems focusing on acid-base...  Read More >>

The third edition of this book has been updated so that both advanced physics and advanced chemistry can be overviewed...  Read More >>

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This book provides a comprehensive discussion of the Jahn-Teller Effect (JTE), focusing on the boson-fermion interaction....  Read More >>

Machine learning and artificial intelligence have propelled research across various molecular science disciplines...  Read More >>

This book explains how peptide-based drug design works, what steps are needed to develop a peptide-based therapeutic,...  Read More >>

This book is a brief and accessible popular science text intended...  Read More >>

Molecular simulation allows researchers unique insight into the structures and interactions at play in fluids. Since...  Read More >>

Advances in Quantum Chemistry, Volume 88 presents the latest ongoing research at the forefront of Electronic structure...  Read More >>

R for Quantitative Chemistry is an exploration of how the R language can be applied to a wide variety of problems...  Read More >>

R for Quantitative Chemistry is an exploration of how the R language can be applied to a wide variety of problems...  Read More >>

It covers mechanisms, salient features, formulations, important aspects and case studies of various forcefields...  Read More >>

This book presents the physicochemical properties and structure of high-alumina slag in the ironmaking process....  Read More >>

This primer introduces simple, straightforward quantum science principles to motivated science students from a variety...  Read More >>

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This book addresses the various aspects of the RNA-seq technique, especially its application in drug discovery and...  Read More >>

Addressing the fundamental aspects of the various computational tools for drug discovery, this book compiles recent...  Read More >>

New materials and manufacturing techniques are emerging with potential to address the challenges associated with...  Read More >>

This book presents peer-reviewed articles and recent advances on the potential applications of Science and Mathematics...  Read More >>

This book covers a range of topics in quantum mechanics and molecular dynamics simulation, including computational...  Read More >>

This book synthesizes the underlying theory of statistical mechanics with the computational techniques and algorithms...  Read More >>

This book, which is the third volume of Biomedical translational research, focuses on the fundamental role of biomedical...  Read More >>

This brief introduces the reader to the topic of superhalogens, a special class of atomic clusters that can potentially...  Read More >>

Density functional theory (DFT) provides the most widely used models for simulating molecules and materials based...  Read More >>