Study of the Diradicaloid Character in a Prototypical Pancake-Bonded Dimer: The Stacked Tetracyanoethylene (TCNE) Anion Dimer and the Neutral K2TCNE2Complex

The Multiradical Character of One- and Two-Dimensional Graphene Nanoribbons

(2013) Felix Plasser et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Evidence for Multicenter Bonding in Dianionic Tetracyanoethylene Dimers by Raman Spectroscopy

(2013) Juan Casado et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Partial Atomic Charges and Screened Charge Models of the Electrostatic Potential

(2012) Bo Wang et al.   Journal of Chemical Theory and Computation

Bonds or not bonds? Pancake bonding in 1,2,3,5-dithiadiazolyl and 1,2,3,5-diselenadiazolyl radical dimers and their derivatives

(2012) Habtamu Z. Beneberu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications

(2011) Péter G. Szalay et al.   CHEMICAL REVIEWS

Charge Shift Bonding Concept in Radical π-Dimers

(2011) Yong-Hui Tian et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Singlet Diradical Character from Experiment

(2010) Kenji Kamada et al.   Journal of Physical Chemistry Letters

Is There a Lower Limit to the CC Bonding Distances in Neutral Radical π-Dimers? The Case of Phenalenyl Derivatives

(2010) Yong-Hui Tian et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Resonance Balance Shift in Stacks of Delocalized Singlet Biradicals

(2009) Akihiro Shimizu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

[MeNC5H5]2[TCNE]2 (TCNE = tetracyanoethylene). Single crystal X-ray and neutron diffraction characterization of an exceptionally long 2.8 Å C–C bond

(2009) Paula M. B. Piccoli et al.   CRYSTENGCOMM

Comparative Analysis of the Multicenter, Long Bond in [TCNE]·−and Phenalenyl Radical Dimers: A Unified Description of Multicenter, Long Bonds

(2009) Fernando Mota et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electronic structure of organic diradicals: Evaluation of the performance of coupled-cluster methods

(2008) Xiangzhu Li et al.   JOURNAL OF CHEMICAL PHYSICS

Deracemization of a Dynamic Combinatorial Library Induced by (−)-Cytidine and (−)-2-Thiocytidine

(2008) Mee-Kyung Chung et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Trisphenalenyl-Based Neutral Radical Molecular Conductor

(2008) Sushanta K. Pal et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Crystal packing of TCNQ anion π-radicals governed by intermolecular covalent π–π bonding: DFT calculations and statistical analysis of crystal structures

(2008) Jingsong Huang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS