Assessment of density functionals for π systems: Energy differences between cumulenes and poly-ynes; proton affinities, bond length alternation, and torsional potentials of conjugated polyenes; and proton affinities of conjugated shiff bases

Yan Zhao, Donald G. Truhlar

Research output: Contribution to journal › Article › peer-review

188 Scopus citations

Fingerprint

Dive into the research topics of 'Assessment of density functionals for π systems: Energy differences between cumulenes and poly-ynes; proton affinities, bond length alternation, and torsional potentials of conjugated polyenes; and proton affinities of conjugated shiff bases'. Together they form a unique fingerprint.

Chemical Compounds

Physics & Astronomy