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Your search keyword '"Yamanaka, Syusuke"' showing total 2 results
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2 results on '"Yamanaka, Syusuke"'

1. Regulation mechanism of spin-orbit coupling in charge-transfer-induced luminescence of imidazopyrazinone derivatives

Author

Isobe, Hiroshi, Yamanaka, Syusuke, Kuramitsu, Seiki, and Yamaguchi, Kizashi

Subjects
Pyrazinamide -- Research, Pyrazinamide -- Chemical properties, Coordination compounds -- Research, Coordination compounds -- Chemical properties, Spin coupling -- Measurement, Spin coupling -- Research, Chemistry
Abstract

The spin transition in the reactions of the derivatives of imidazo[1,2-a]pyrazin-3(7H)-one with a triplet molecular oxygen is examined by the geometry optimization and the electronic matrix elements for spin-orbit coupling (SOC) is evaluated by using the full Pauli-Breit SOC operator. An optimal state is present for the suppression of SOC in the charge-transfer-induced luminescence (CTIL) for the peroxide, which is related with the ability of a substituent to donate an electron.

Published
2008

2. Theoretical investigation of thermal decomposition of peroxidized coelenterazines with and without external perturbations

Author

Isobe, Hiroshi, Yamanaka, Syusuke, Okumura, Mitsutaka, and Yamaguchi, Kizashi

Subjects
Density functionals -- Usage, Electrostatic interactions -- Analysis, Hydrogen bonding -- Analysis, Peroxides -- Chemical properties, Peroxides -- Thermal properties, Phenols -- Chemical properties, Phenols -- Thermal properties, Chemicals, plastics and rubber industries
Published
2009

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