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Answering the need to facilitate quantum-chemical calculations of systems with thousands of atoms, Kazuo Kitaura and his coworkers developed the Fragment Molecular Orbital (FMO) method in 1999. Today, the FMO method can be applied to the study of whole proteins and protein-ligand interactions, and is extremely effective in calculating the propertie
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This book covers recent advances of the fragment molecular orbital (FMO) method, consisting of 5 parts and a total of 30 chapters written by FMO experts. The FMO method is a promising way to calculate large-scale molecular systems such as proteins in a quantum mechanical framework. The highly efficient parallelism deserves being considered the principal advantage of FMO calculations. Additionally, the FMO method can be employed as an analysis tool by using the inter-fragment (pairwise) interaction energies, among others, and this feature has been utilized well in biophysical and pharmaceutical chemistry. In recent years, the methodological developments of FMO have been remarkable, and both r...
The story of the Soviet occupation of Afghanistan is well known: the expansionist Communists overwhelmed a poor country as a means of reaching a warm-water port on the Persian Gulf. Afghan mujahideen upset their plans, holding on with little more than natural fighting skills, until CIA agents came to the rescue with American arms. Humiliated in battle, the Soviets hastily retreated. It's a great story, writes Rodric Braithwaite. But it never happened. The Russian conscripts suffered badly from mismanagement and strategic errors, but they were never defeated on the battlefield, and withdrew in good order. In this brilliant, myth-busting account, Braithwaite - the former British ambassador to ...
The family forms of historic Europe have been fascinating in their variety. Their importance for the historical development of our continent would be difficult to exaggerate; for our relationship with the peoples of the other continents of the world as well. This book is an attempt to recover the different familial systems and compare them with one another. The studies range from Russia, Poland, Hungary and Austria to Scandinavia, Flanders and Britain. All the influences which have affected the character and composition of European households are taken into account. The analysis covers their function as productive work groups, in the procreation and bringing up of children, and in the support of the elderly, and their relationship with the wider society and its norms along with its political organization, central and local. Claims that inheritance customs and inheritance practice and the occupation of the household head exerted a powerful influence on the size and composition of households are subjected to rigorous and systematic investigation.
A vivid account of everyday encounters in the Russia-China borderlands.
The International Conference on Exotic Nuclei and Atomic Masses (ENAM) has gained the status of the premier meeting for the physics of nuclei far from stability. The selected and refereed papers presenting the main results constitute valuable proceedings that offer everyone working in this field an authoritative and comprehensive source of reference.
This book provides authoritative tutorials on the most recent achievements in the field of quantum gases at the interface between atomic physics and quantum optics, condensed matter physics, nuclear and high-energy physics, non-linear physics, and quantum information.
Computational chemistry, including electronic structure modeling, is a fast and accurate tool for treating large chemically meaningful systems. Unique among current quantum chemistry texts, Electronic Structure Modeling: Connections Between Theory and Software enables nonspecialists to employ computational methods in their own investigations. The t
In this six-session study, explore how the Psalms are worship-prayer songs lifted to God. Whether chanted in a synagogue, sung from a hymnal, or read from projectors on walls, the Psalms have given us the content of our prayers and defined both our worship and faith for generations. By studying, praying, and living the Psalms, our lives become an enduring song of praise to the Lord, like strong, fruitful trees that thrive through every season. This study is an invitation to the wild beauty that comes from experiencing God as we journey deeper in relationship with him through the Psalms. Study different types of worship-prayer songs from the book of Psalms, consider the background of specific psalms and their connections with Jesus, and explore how the songs we sing and the song of our lives reflect the themes of the book of Psalms. The six sessions include: Blessed is the One Who Praises the Lord (Psalms 1 and 150) The Heavens Declare and the Word Shines a Light (Psalms 19 and 119) Even in Darkest Valleys, the Lord Is My Shepherd (Psalms 22-24) Unfailing Love and Forgiveness (Psalms 51 and 32) Lord, You Have Been Our Home (Psalms 90 and 46) Bless the Lord, O My Soul (Psalm 103)