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.
Importance of eigenvector sign consistency in computations of expectation values via mixed quantum-classical surface-hopping dynamics
Theoretical insights into the structural, electronic and optical properties of benzotrithiophene-based hole-transporting materials
- 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|
To view the rest of this content please follow the download PDF link above.