Importance of Vibronic Effects in the UV-Vis Spectrum of the 7,7,8,8-Tetracyanoquinodimethane Anion

Enrico Tapavicza, Filipp Furche, Dage Sundholm

Research output: Contribution to journalArticleScientificpeer-review

Original languageEnglish
JournalJournal of Chemical Theory and Computation
Volume12
Issue number10
Pages (from-to)5058-5066
Number of pages9
ISSN1549-9618
DOIs
Publication statusPublished - Oct 2016
MoE publication typeA1 Journal article-refereed

Fields of Science

  • DENSITY-FUNCTIONAL THEORY
  • RESONANCE RAMAN SPECTROELECTROCHEMISTRY
  • NONADIABATIC MOLECULAR-DYNAMICS
  • APPROXIMATE COULOMB POTENTIALS
  • ELECTRONIC-ABSORPTION-SPECTRUM
  • EXCITED-STATE PROPERTIES
  • ZETA VALENCE QUALITY
  • AUXILIARY BASIS-SETS
  • GAUSSIAN-BASIS SETS
  • FRANCK-CONDON
  • 116 Chemical sciences
  • 114 Physical sciences

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