Development of minimized mixing molecular orbital method for designing organic ferromagnets

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

Interpretation and Quantification of Magnetic Interaction through Spin Topology

(2012) Satadal Paul et al.   Journal of Chemical Theory and Computation

Structure–Properties Relationships in Triplet Ground State Organic Diradicals: A Computational Study

(2012) Vincenzo Barone et al.   Journal of Chemical Theory and Computation

An elongation method for large systems toward bio-systems

(2012) Yuriko Aoki et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Guidelines proposed for designing organic ferromagnets by using a quantum chemical approach

(2011) Shohei Onitsuka et al.   THEORETICAL CHEMISTRY ACCOUNTS

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