Theoretical Chemistry Accounts
Theory, Computation, and Modeling
For more than 50 years, TCA has published high-quality papers in all fields of theoretical chemistry, computational chemistry, and modeling. The journal continues to be a premier forum both for fundamental studies as well as applications. In many cases, theorists and computational chemists have special concerns which reach either across the vertical borders of the special disciplines in chemistry or else across the horizontal borders of structure, spectra, synthesis, and dynamics. TCA is especially interested in such papers that impact upon multiple chemical disciplines.
Density functional theoretical studies on electronic structural, optical and oxidation properties of thioxylated peptides
Improvement of the self-consistent-charge density-functional-tight-binding theory by a modified Mulliken charge
- Journal Title
- Theoretical Chemistry Accounts
- Volume 1 / 1963 - Volume 136 / 2017
- Print ISSN
- Online ISSN
- Springer Berlin Heidelberg
- Additional Links
- Industry Sectors
|Previous Title||Print ISSN||Online ISSN|
|Theoretica chimica acta||0040-5744|
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