Energy effect of cyclic conjugation

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Energy Component Analysis of the Pseudo-Jahn−Teller Effect in the Ground and Electronically Excited States of the Cyclic Conjugated Hydrocarbons: Cyclobutadiene, Benzene, and Cyclooctatetraene

The Journal of Physical Chemistry A, 1997
To elucidate the nature of the pseudo-Jahn−Teller (JT) effect, an energy component analysis has been carried out for the ground and electronically excited states of the titled cyclic polyenes by using the MCSCF method with 6-31G(d) basis set. Examination of the energy components comprised in the total energy reveals that in the ground state of planar ...
Shiro Koseki, Azumao Toyota
openaire +1 more source

Molecular Self-Assembly and Supramolecular Chemistry of Cyclic Peptides

Chemical Reviews, 2021
Qiao Song, Stephen C L Hall, Julia Y Rho
exaly

Ubiquitin-like conjugation by bacterial cGAS enhances anti-phage defence

Nature, 2023
Justin M Jenson, Tuo Li, Fenghe Du
exaly

Elevating the Orbital Energy Level of dxy in MnO6 via d–π Conjugation Enables Exceptional Sodium‐Storage Performance

Advanced Energy Materials, 2023
zhiyu Yang
exaly

Pairwise energy effect of cyclic conjugation in benzo-annelated perylenes

Monatshefte Für Chemie, 2010
Ivan Gutman, Slavko Radenkovic
exaly

CYCLIC CONJUGATION IN FLUORANTHENE AND ITS BENZO-DERIVATIVES. PART 1. CATACONDENSED SYSTEMS

Polycyclic Aromatic Compounds, 2009
Ivan Gutman, Alexandru T Balaban
exaly

A REGULARITY FOR CYCLIC CONJUGATION IN ACENAPHYHYLENE, FLUORANTHENE AND THEIR CONGENERS

Polycyclic Aromatic Compounds, 2009
Ivan Gutman, Alexandru T Balaban
exaly