YAGI TORU

J-GLOBAL         Last updated: Jul 17, 2019 at 02:40
 
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Name
YAGI TORU
Affiliation
Edogawa University
Section
College of Media aond Communications Department of Communication and Business
Job title
Professor
Research funding number
00550881

Research Areas

 
 

Education

 
Apr 1992
 - 
Mar 1996
University of Tsukuba
 
Apr 1996
 - 
Mar 2001
Graduate School, Division of Chemistry, University of Tsukuba
 

Misc

 
Parallel Fock Matrix Construction with Distributed Shared Memory Model for the FMO-MO Method
◎Hiroaki Umeda, Yuichi Inadomi, Toshio Watanabe, Toru Yagi, Takayoshi Ishimoto, Tsutomu Ikegami, Hiroto Tadano, Tetsuya Sakurai, Umpei Nagashima
Journal of Computational Chemistry   31(13) 2381-2388   Apr 2010   [Refereed]
A parallel Fock matrix construction program for FMO-MO method has been developed with the distributed shared memory model. To construct a large-sized Fock matrix during FMO-MO calculations, a distributed parallel algorithm was designed to make ful...
MC/MO SOC-SCF calculation of parity-violating energy of L-alanine zwitterion in aqueous solution.
◎Toshio Watanabe, Kenji Morihashi, Ohgi Takahashi, Takeshi Kitayama, Toru Yagi, Osamu Kikuchi
Journal of Molecular Structure THEOCHEM   671(1-3) 119-123   Feb 2004   [Refereed]
A combination of Monte Carlo (MC) simulation and ab initio spin-orbit coupling SCF (SOC-SCF) method was used to evaluate parity-violating energy, Epv, of l-alanine zwitterion (l-ALAZ) in aqueous solution. The present calculations provide support f...
MC/MO Study of the Solvent Effect on the Excitation Energies of the (CH3)2NO Radical in Hydrogen-Bonding and Non-Hydrogen-Bonding Solvents
Toru Yagi, Kenji Morihashi, Osamu Kikuchi
Journal of Physical Chemistry A   105(35) 8241-8247   Aug 2001   [Refereed]
A combination of Monte Carlo (MC) simulation and ab initio molecular orbital (MO) calculation was applied to dimethyl nitroxide (DMNO) in H2O, CH3OH, CH3CN, and (CH3)2CO solutions, and the solvent effect on the electronic structure and n-pi* and p...
MC/AM1-SCI study of the effect of hydration shells on the nitrogen hyperfine coupling constant of the (CH3)2NO radical in aqueous solution
Tori Yagi, Takahiro Suzuki, Kenji Morihashi, Osamu Kikuchi
Journal of Molecular Structure THEOCHEM   540(1-3) 63-68   May 2001   [Refereed]
A combination of Monte Carlo (MC) simulation and semi-empirical AM1 molecular orbital (MO) singly-excited configuration interaction (SCI) calculation was applied to dimethyl nitroxide (DMNO) in aqueous solution and the solvent effect on the hyperf...
Calculation of the parity-violating energy by using the generalized spin-orbitals obtained by the SCF calculation including the spin-orbit coupling interaction
◎Hiroshi Kiyonaga, Toru Yagi, Kenji Morihashi, Osamu Kikuchi
JCPE journal   11(3) 165-170   Dec 1999   [Refereed]
The wavefunction was obtained by the SCF calculation in which the spin-orbit coupling (SOC) interaction was included variationally. This SOC-SCF wave function was used to calculate the parity-violating energy (Epv) of the glycine zwitterion.

Conference Activities & Talks

 
Visualization of Suspended Particulate Matter by Digital cameras
JUNKO KAMBE, Toru Yagi, Umpei Nagashima, Tomoo Aoyama
Air Pollution and Health   23 Mar 2010   American Association for Aerosol Research
Air pollution in the eastern Asian mega cities is very serious problem for the human health care. Meteorological phenomena, yellow sand and haze are caused by suspended particulate matter (SPM) in the atmosphere. We would like to propose the visua...