Concepedia

Chain length and torsional dependence of exciton binding energies in P3HT and PTB7 conjugated polymers: A first-principles study

Ram S. Bhatta, Mesfin Tsige

Polymer · 2014 · 60 citations · 56 references

DOI

Concepts

References

56

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +13

Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme · Journal of Computational Chemistry · 2006 · 30.8K citations

, , +17

Density-Functional Theory for Time-Dependent Systems

Erich Runge, E. K. U. Gross · Physical Review Letters · 1984 · 8.8K citations

, , +14

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

Marat Valiev, Eric J. Bylaska, Niranjan Govind et al. · Computer Physics Communications · 2010 · 5.8K citations

, , +12

Two-dimensional charge transport in self-organized, high-mobility conjugated polymers

Henning Sirringhaus, P. J. Brown, Richard H. Friend et al. · Nature · 1999 · 4.6K citations

, , +12