Quantum chemical approaches for controlling and evaluating intramolecular magnetic interactions in organic diradicals

Effect of Hartree-Fock exact exchange on intramolecular magnetic coupling constants of organic diradicals

(2015) Daeheum Cho et al.   JOURNAL OF CHEMICAL PHYSICS

Ferromagnetic Graphene Nanoribbons: Edge Termination with Organic Radicals

(2015) Daeheum Cho et al.   Journal of Physical Chemistry C

Organic Magnetic Diradicals (Radical–Coupler–Radical): Standardization of Couplers for Strong Ferromagnetism

(2014) Daeheum Cho et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Simple but Useful Scheme toward Understanding of Intramolecular Magnetic Interactions: Benzene-Bridged Oxoverdazyl Diradicals

(2014) Kyoung Chul Ko et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The Triplet–Singlet Gap in the m-Xylylene Radical: A Not So Simple One

(2013) Daniel Reta Mañeru et al.   Journal of Chemical Theory and Computation

Scaling Approach for Intramolecular Magnetic Coupling Constants of Organic Diradicals

(2013) Kyoung Chul Ko et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical Investigation of the β Value of the π-Conjugated Molecular Wires by Evaluating Exchange Interaction between Organic Radicals

(2013) Shohei Nishizawa et al.   Journal of Physical Chemistry C

Systematic Approach To Design Organic Magnetic Molecules: Strongly Coupled Diradicals with Ethylene Coupler

(2012) Kyoung Chul Ko et al.   JOURNAL OF PHYSICAL CHEMISTRY A

High Magnetic Exchange Coupling Constants: A Density Functional Theory Based Study of Substituted Schlenk Diradicals

(2012) Iqbal A. Latif et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Spin-Polarized Light-Emitting Diode Based on an Organic Bipolar Spin Valve

(2012) T. D. Nguyen et al.   SCIENCE

Playing with organic radicals as building blocks for functional molecular materials

(2011) Imma Ratera et al.   CHEMICAL SOCIETY REVIEWS

Diazaphenalenyl-Containing Spin Sources Designed by Standardization of Intramolecular Magnetic Interactions

(2011) Kyoung Chul Ko et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Very Strongly Ferromagnetically Coupled Diradicals from Mixed Radical Centers. II. Nitronyl Nitroxide Coupled to Tetrathiafulvalene via Spacers

(2010) Iqbal A. Latif et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A DFT Study on the Magnetostructural Property of Ferromagnetic Heteroverdazyl Diradicals with Phenylene Coupler

(2010) Debojit Bhattacharya et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Singlet−Triplet Energy Gaps for Diradicals from Fractional-Spin Density-Functional Theory

(2010) Daniel H. Ess et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Spin injection/detection using an organic-based magnetic semiconductor

(2010) Jung-Woo Yoo et al.   NATURE MATERIALS

Evaluation of the β Value of the Phenylene Unit by Probing Exchange Interaction between Two Nitroxides

(2010) Kenji Higashiguchi et al.   ORGANIC LETTERS

Very Strongly Ferromagnetically Coupled Diradicals from Mixed Radical Centers: Nitronyl Nitroxide Coupled to Oxoverdazyl via Polyene Spacers

(2009) Iqbal A. Latif et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Intramolecular ferromagnetic coupling in bis-oxoverdazyl and bis-thioxoverdazyl diradicals with polyacene spacers

(2009) Debojit Bhattacharya et al.   THEORETICAL CHEMISTRY ACCOUNTS

Prediction of molecular properties and molecular spectroscopy with density functional theory: From fundamental theory to exchange-coupling

(2008) Frank Neese   COORDINATION CHEMISTRY REVIEWS

Performance of the M06 family of exchange-correlation functionals for predicting magnetic coupling in organic and inorganic molecules

(2008) Rosendo Valero et al.   JOURNAL OF CHEMICAL PHYSICS

Reliability of range-separated hybrid functionals for describing magnetic coupling in molecular systems

(2008) Pablo Rivero et al.   JOURNAL OF CHEMICAL PHYSICS

Organic spin valves: the first organic spintronics devices

(2008) Fujian Wang et al.   JOURNAL OF MATERIALS CHEMISTRY

Organic field-effect transistors for spin-polarized transport

(2008) M. Michelfeit et al.   PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE

Towards understanding of magnetic interactions within a series of tetrathiafulvalene–π conjugated-verdazyl diradical cation system: a density functional theory study

(2007) Victor Polo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS