Organic materials with extraordinary magnetic properties promise a wide range of light, flexible, and inexpensive alternatives to familiar metal-based magnets.
This book documents the latest research into the theory and application of force-fields, semi-empirical molecular orbital, density functional and ab initio calculations, Quantum Mechanical (QM) based modelling, Atoms in Molecules (AIM) approach, and biomolecular dynamics.
Computational Quantum Chemistry presents computational electronic structure theory as practised in terms of ab initio waveform methods and density functional approaches.
In Silico methods to predict toxicity have become increasingly important recently, particularly in light of European legislation such as REACH and the Cosmetics Regulation.
'Love is the meaning' is the phrase chosen by the mystic 14th century writer Julian of Norwich to encapsulate all that had been revealed to her in the series of visions that led her to write one of world's greatest spiritual books, her Revelations of Divine Love which continues to inspire countless readers today.
The computer-aided drug design research field comprises several different knowledge areas, and often, researchers are only familiar or experienced with a small fraction of them.
This book aims to understand the main aspects of non-covalent chemistry (mainly in the gas phase) and specifically compares the experimental and theoretical data available for non-covalent complexes and subsequent problems associated with this comparison.
Chemometrics in Analytical Spectroscopy provides students and practising analysts with a tutorial guide to the use and application of the more commonly encountered techniques used in processing and interpreting analytical spectroscopic data.
A guide to the spiritual meaning and magic of the infinity symbol and how to activate its positive powers *; Explains how the infinity symbol is the antidote to a negative, imbalanced world and how it can help reconnect the two halves of the brain and achieve balance and harmony in yourself, your relationships, and the wider world *; Offers simple and practical exercises that harness the power of the infinity symbol for balance and harmony, including simple visualizations, physical exercises, and directed drawing of the symbol *; Explores the many appearances of this universal symbol in history, mythology, different cultures, and the natural world Through the ages, the infinity symbol, a sideways figure eight, has represented eternal development and balance.
Analyzing the ways in which the Grimm brothers' tales provide real, vital insights into how to live more happily, understand the need for personal and psychological growth, and find that significant other, this innovative study revives the true healing nature of these beloved tales.
A combination of therapy and expertise in literature, this book explains the six archetypes derived from 4,000 years of literature and how they may guide unhappy people seeking meaning in their lives.
Over the past decade, great strides have been taken in developing methodologies that can treat more and more complex nano- and nano-bio systems embedded in complex environments.
Over the past decade, great strides have been taken in developing methodologies that can treat more and more complex nano- and nano-bio systems embedded in complex environments.
Chemical modelling covers a wide range of disciplines and this book is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling.
What is authentic spirituality, and what noble qualities are needed so that we may stand up for what is truly sacred in today's anxious, divided and often sceptical world?
