From macromolecules to electrons—grand challenges in theoretical and computational chemistry
نویسندگان
چکیده
منابع مشابه
From macromolecules to electrons—grand challenges in theoretical and computational chemistry
Among the many achievements of the twentieth century the accelerating development of microprocessors and their capabilities is one of the most impressive accomplishments, influencing virtually every aspect of daily life. The impact of this new technological resource was (and still is) of particular importance for theoretical approaches in science and engineering. Although many theories (Schrödi...
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Theoretical and Computational Chemistry has seen a remarkable development in the past decades. While it started as a discipline of a few experts in the 1960s, the field has grown enormously due to advances in computational resources and software packages. In addition to the dramatic increase in computer power, a wide range of methods with predictive capabilities such as density functional theor...
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ژورنال
عنوان ژورنال: Frontiers in Chemistry
سال: 2013
ISSN: 2296-2646
DOI: 10.3389/fchem.2013.00006