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Computational Photochemistry, Volume 16 provides an overview of general strategies currently used to investigate photochemical processes. Whilst contr...Savoir plus
Written chemical formulas, such as C 2 H 6 O, can tell us the constituent atoms a molecule contains but they cannot differentiate between the possible...Savoir plus
This volume is devoted to the various aspects of theoretical organic chemistry. In the nineteenth century, organic chemistry was primarily an experime...Savoir plus
Nanoscience is one of the most exciting areas of modern physical science as it encompasses a range of techniques rather than a single discipline. It s...Savoir plus
This book covers applications of computational techniques to biological problems. These techniques are based by an ever-growing number of researchers ...Savoir plus
The Crystalline States of Organic Compounds is a broad survey of the techniques by which molecular crystals are investigated, modeled, and applied, st...Savoir plus
The book gives an overview of the self-propelled motion of chemical objects far from their thermodynamic equilibrium at various spatial scales and its...Savoir plus
Over the past 25 years, the molecular electrostatic potential has become firmly established as an effective guide to molecular interactions. With the ...Savoir plus
The field of relativistic electronic structure theory is generally not part of theoretical chemistry education, and is therefore not covered in most q...Savoir plus
Valence bond (VB) theory, which builds the descriptions of molecules from those of its constituent parts, provided the first successful quantum mechan...Savoir plus
The present status of Density Functional Theory (DFT), which has evolved as the main technique for the study of matter at the atomistic level, is desc...Savoir plus
Recent years have seen tremendous progress in research on cold and controlled molecular collisions, both in theory and in experiment. The advent of te...Savoir plus
Ions are ubiquitous in chemical, technological, ecological and biological processes. Characterizing their role in these processes in the first place r...Savoir plus
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...Savoir plus
This volume provides an overview of current research and recent advances in the area of energetic materials, focusing on explosives and propellants. T...Savoir plus
There have been significant developments in the use of knowledge-based expert systems in chemistry since the first edition of this book was published ...Savoir plus
Exploring current themes in modern computational and membrane protein biophysics, this book presents a comprehensive account of the fundamental princi...Savoir plus
Theoretical Aspects of Chemical Reactivity provides a broad overview of recent theoretical and computational advancements in the field of chemical rea...Savoir plus
As analysis in chemical and biological fields has developed so computational techniques have advanced enabling greater understanding of the data. This...Savoir plus
Properties and Functionalization of Graphene: Computational Chemistry Approaches, Volume 21 shows how computational chemistry can be used to explore m...Savoir plus
The primary objective of this volume, the first in a new series entitled Theoretical and Computational Chemistry, is to survey some effective approach...Savoir plus
The cost of drug development is increasing, and investment returns are decreasing. The number of drugs approved by FDA is in decline in terms of the n...Savoir plus
The aim of this book is to provide a general introduction into the science behind non-covalent interactions and molecular complexes using some importa...Savoir plus
Molecular Modeling of the Sensitivities of Energetic Materials, Volume 22 introduces experimental aspects, explores the relationships between sensitiv...Savoir plus