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Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends gathers the advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title itself reflects the celebration of the twentieth anniversary of the “Conference on Current Trends in Computational Chemistry (CCTCC)” to which all authors have participated and contributed to its success. This volume poses (and answers) important questions of interest to the computational chemistry community and beyond. What is the historical background of the “Structural Chemistry”? Is there any way to avoid the problem of intruder s...
Knowledge-based systems, fully integrated with software, have become essential enablers for both science and commerce. But current software methodologies, tools and techniques are not robust or reliable enough for the demands of a constantly changing and evolving market, and many promising approaches have proved to be no more than case-oriented methods that are not fully automated. This book presents the proceedings of the 17th international conference on New Trends in Intelligent Software Methodology, Tools and Techniques (SoMeT18) held in Granada, Spain, 26-28 September 2018. The SoMeT conferences provide a forum for the exchange of ideas and experience, foster new directions in software d...