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A blend of methodological and applied contributions on computational chemistry. It explores research results and the topographical features of several molecular scalar fields. A discussion of topographical concepts is followed by examples of their application to several branches of chemistry.
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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
Interventions in Pulmonary Medicine is an important new volume that addresses all areas of interventional pulmonology, a minimally invasive endoscopic way to diagnose and treat lung disorders. This volume contains dedicated chapters that outline the many issues related to lung cancer, both in early and advanced stages, from diagnosis to personalized treatment. It also covers bronchoscopic therapeutic options to benign conditions that are highly prevalent, such as COPD and asthma. Techniques described in this volume are: laser therapy, argon plasma coagulation therapy, cryotherapy, brachytherapy, placement of intrapleural drainage systems, endoscopic treatment of emphysema, stents in the airw...
This volume brings together selected contributed papers presented at the International Conference of Computational Methods in Science and Engineering (ICCMSE 2006), held in Chania, Greece, October 2006. The conference aims to bring together computational scientists from several disciplines in order to share methods and ideas. The ICCMSE is unique in its kind. It regroups original contributions from all fields of the traditional Sciences, Mathematics, Physics, Chemistry, Biology, Medicine and all branches of Engineering. It would be perhaps more appropriate to define the ICCMSE as a conference on computational science and its applications to science and engineering. Topics of general interest...
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This third edition offers comprehensive, up-to-date coverage of all areas of interventional pulmonology, a minimally invasive endoscopic method for diagnosing and treating lung disorders. The text is divided into nine sections on the major areas of interventional pulmonology, including basic bronchoscopy, lung cancer staging, tracheobronchial obstructions, endobronchial treatments for asthma and emphysema, as well as a new section on interventional procedures during the COVID-19 pandemic. Chapters explore specific procedures and techniques, including medical thoracoscopy, flexible and rigid bronchoscopy, endobronchial ultrasound, and electromagnetical navigation with coverage of history, ind...
The field of relativistic electronic structure theory is generally not part of theoretical chemistry education, and is therefore not covered in most quantum chemistry textbooks. This is due to the fact that only in the last two decades have we learned about the importance of relativistic effects in the chemistry of heavy and superheavy elements. Developments in computer hardware together with sophisticated computer algorithms make it now possible to perform four-component relativistic calculations for larger molecules. Two-component and scalar all-electron relativistic schemes are also becoming part of standard ab-initio and density functional program packages for molecules and the solid sta...