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Theoretical Chemistry

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Cover of Hugh M Cartwright: Machine Learning in Chemistry

Hugh M Cartwright: Machine Learning in Chemistry

Progress in the application of machine learning (ML) to the physical and life sciences has been rapid. A decade ago, the method was mainly of interest to those in computer science departments, but mo …

Cover of Sławomir J Grabowski: Understanding Hydrogen Bonds

Sławomir J Grabowski: Understanding Hydrogen Bonds

Hydrogen bonded systems play an important role in all aspects of science but particularly chemistry and biology. Notably, the helical structure of DNA is heavily reliant on the hydrogens bonds betwee …

Cover of Yong Yang & Riqiang Fu: NMR and MRI of Electrochemical Energy Storage Materials and Devices

Yong Yang & Riqiang Fu: NMR and MRI of Electrochemical Energy Storage Materials and Devices

Energy storage material is a hot topic in material science and chemistry. During the past decade, nuclear magnetic resonance (NMR) has emerged as a powerful tool to aid understanding of the working …

Cover of Timothy Fulton Johns: The Great Cosmic Sea of Reality

Timothy Fulton Johns: The Great Cosmic Sea of Reality

THE COSMIC DARK Matter Fractal Field is a new paradigm in cosmology, a theory that has provided new ways to understand our reality as a highly dynamic feedback system that exhibits reverse entropy. I …

Cover of Arieh Ben-naim: FAREWELL TO ENTROPY, A

Arieh Ben-naim: FAREWELL TO ENTROPY, A

The principal message of this book is that thermodynamics and statistical mechanics will benefit from replacing the unfortunate, misleading and mysterious term “entropy” with a more familiar, …

Cover of James Emil Avery & John Scales Avery: HYPERSPHERICAL HARMONICS AND THEIR PHYSICAL APPLICATIONS

James Emil Avery & John Scales Avery: HYPERSPHERICAL HARMONICS AND THEIR PHYSICAL APPLICATIONS

Hyperspherical harmonics are extremely useful in nuclear physics and reactive scattering theory. However, their use has been confined to specialists with very strong backgrounds in mathematics. This …

Cover of Peter Bamfield & Michael Hutchings: Chromic Phenomena

Peter Bamfield & Michael Hutchings: Chromic Phenomena

Chromic or colour related phenomena are produced in response to a chemical or physical stimulus. This new edition will update the information on all those areas where chemicals or materials interact …

Cover of Robert B Hammond & Peter Bladon: Molecular Modelling

Robert B Hammond & Peter Bladon: Molecular Modelling

This book is a practical, easy to use guide for readers with limited experience of molecular modelling. It will provide students at the undergraduate and early postgraduate chemistry level with a …

Cover of Hiroki Nakamura: INTRODUCTION TO NONADIABATIC DYNAMICS

Hiroki Nakamura: INTRODUCTION TO NONADIABATIC DYNAMICS

Nonadiabatic transition is a highly multi-disciplinary concept and phenomenon, constituting a fundamental mechanism of state and phase changes in various dynamical processes of physics, chemistry and …

Cover of Manas Sutradhar & José Armando L da Silva: Vanadium Catalysis

Manas Sutradhar & José Armando L da Silva: Vanadium Catalysis

Vanadium is one of the more abundant elements in the Earth’s crust and exhibits a wide range of oxidation states in its compounds making it potentially a more sustainable and more economical choice a …