Editorial: Recent Progress in Theoretical and Computational Chemistry
โ Scribed by Prof. Dr. Victor S. Batista; Prof. Dr. Stefan Grimme; Prof. Dr. Markus Reiher
- Publisher
- John Wiley and Sons
- Year
- 2011
- Tongue
- English
- Weight
- 468 KB
- Volume
- 12
- Category
- Article
- ISSN
- 1439-4235
No coin nor oath required. For personal study only.
โฆ Synopsis
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 theory (DFT) turned out to be extremely valuable tools in the hands of those who understand the chemistry of the systems under study and the limitations of the methods. As a result, increasingly larger molecular systems are nowadays routinely studied and interpreted according to the fundamental principles of quantum mechanics, including studies of electronic structure and reactivity of complex molecular processes. At the same time, the development http://www.chemphyschem.org Full text: wileyonlinelibrary.com ChemPhysChem, European in origin but international in scope, deals with all aspects of the overlapping areas between chemistry, physics, biology, and materials science. It is co-owned by Chemistry Publishing Society Europe (ChemPubSoc Europe) and published by Wiley-VCH. Contributions in ChemPhysChem cover a wide range of topics including atmospheric science, hard and soft matter, femtochemistry, nanoscience, complex biological systems, single-molecule research, clusters, colloids, catalysis, and surface science; experimental and theoretical studies can be published. ChemPhysChem publishes short Communications and long Articles, as well as Reviews, Minireviews, Highlights, Concepts, Essays, Book Reviews, and occasionally Conference Reports. Authors can submit manuscripts to ChemPhysChem online through our homepage (see left) by clicking on "Submit an Article" and following the simple instructions. www.chemphyschem.org
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