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It is difficult to overestimate the impact that density functional theory has had on computational quantum chemistry over the last two decades. Indeed, this period has seen it grow from little more than a theoreticalcuriosity to become a central tool in the computational chemist s armoury. Arguably no area of ch- istry has benefited more from the meteoric rise in density functional theory than inorganic chemistry. the ability to obtainreliable results in feasible ti- scales on systems containing heavy elements such as the d and f transition - tals has led to an enormous growth in computational inorganic chemistry. The inorganic chemical literature reflects this growth; it is almost impossibl...
E. Clot, O. Eisenstein: Agostic Interactions from a Computational Perspective: One Name, many Interpretations.- Robert J. Deet: Recent Developments in Computational Bioinorganic Chemistry.- E. Ruiz: Theoretical Study of the Exchange Coupling in Large Polynuclear Transition Metal Complexes Using DFT Methods.- D. Sánches-Portal, P. Ordejón, E. Canadell: Computing the Properties of Materials from First Principles with SIESTA.- F. Corà, M. Alfredsson, G. Mallia, D.S. Middlemiss, W.C. Mackrodt, R. Dovesi, R. Orlando: The Performance of Hybrid Density Functionals in Solid State Chemistry
Vols. for 1963- include as pt. 2 of the Jan. issue: Medical subject headings.
The 15th European Conference on Mathematics for Industry was held in the agreeable surroundings of University College London, just 5 minutes walk from the British Museum in the heart of London, over the ?ve warm, sunny days from 30 June to 4 July 2008. Participants from all over the world met with the commonaimofreinforcingthe roleofmathematics asanoverarching resource for industry and business. The conference attracted over 300 participants from 30 countries, most of them participating with either a contributed talk, a minisymposium pres- tation or a plenary lecture. ‘Mathematics in Industry’ was interpreted in its widest sense as can be seen from the range of applications and technique...
Over the last decades, rivalries, bilateral disagreements, and distrust between Maghreb states have taken a toll on common political and security challenges, like the Western Sahara issue, the Libyan conflict, the destabilisation in the Sahel region and transnational clandestine flows. Moreover, the Maghreb is one of the least economically integrated regions in the world, and this leads to the region's loss in growth, and the disheartening record of missed opportunities for stability and prosperity. This is the cost of the "non-Maghreb". This Report aims to unpack the political and economic costs of the "non-Maghreb", understand its historical genesis and geopolitical implications and, more broadly, what the future might hold for individual countries and the Maghreb as a divided, fractious but potentially coherent whole.
This book offers a series of perspectives on the therapeutic potential of the ritual and clinical use of the Amazonian hallucinogenic brew ayahuasca in the treatment and management of various disorders. This book presents biomedical and anthropological data on the use of ayahuasca and provides critiques on how it is used for treating depression, PTSD, anxiety, substance dependence, and eating disorders. The volume also explores ayahuasca’s role in the psychological well-being and quality of life of humans, and discusses possibilities of it enhancing cognition and coping with grief. The book examines ayahuasca’s association with psychotherapy and also highlights the challenges of integrat...