TERAMAE Hiroyuki

J-GLOBAL         Last updated: Oct 11, 2018 at 03:13
 
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Name
TERAMAE Hiroyuki
Affiliation
Josai University
Section
Faculty of Science Depertment of Chemistry
Job title
Professor
Degree
Doctor of Engineering(Kyoto University), Master of Engineering(Kyoto University)
Research funding number
10383176

Research Areas

 
 

Academic & Professional Experience

 
1985
 - 
1988
Research Scientist, NTT Basic Research Laboratories
 
1989
 - 
1999
Senior Research Scientist, NTT Basic Research
 
 
   
 
Laboratories
 
1993
 - 
1994
Visiting Fellow, University of Colorado
 
1996
 - 
1997
Visiting Fellow, University of Colorado
 

Education

 
 
 - 
1984
Hydrocarbon Chemistry, Graduate School, Division of Engineering, Kyoto University
 
 
 - 
1979
Hydrocarbon Chemistry, Faculty of Engineering, Kyoto University
 
 
 - 
Mar 1984
Graduate School, Division of Engineering, Kyoto University
 
 
 - 
Mar 1981
Graduate School, Division of Engineering, Kyoto University
 
 
 - 
Mar 1979
Faculty of Engineering, Kyoto University
 

Published Papers

 
An Attempt at Ab Initio Crystal Orbital Calculation of Electronic Structure of B-type Model-DNA
Hiroyuki Teramae, Yuriko Aoki
AIP Conference Proceedings   1906 030023   2017   [Refereed]
As an attempts at the electronic structure calculations of the B-type model-DNA, (poly-(guanine) poly-(cytosine)) double helix including sodium atoms as counter cation, hereafter referred as (poly-(dG)poly-(dC), double helix model polymer is perfo...
Hiroyuki Teramae, Yasuko Y. Maruo
AIP Conference Proceedings   1702 090941   2016   [Refereed]
We try to optimize the structures of monoethanolamine (MEA), MEA dimer, MEA + two water molecules, and MEA dimer + four water molecules as the model of MEA in aqueous solutions using the Hamiltonian algorithm. We found the most stable MEA backbone...
Practical Training on Adding Polarization and Diffuse Functions to Basis Set for Molecular Orbital Calculation
S. Nagaoka, H. Teramae, U. Nagashima
Aust. J. Educ. Chem.   75 8-15   2016   [Refereed]
Adding a polarization function to a basis set for a molecular orbital calculation is frequently useful for producing accurate representations of chemical bonding. Adding a diffuse function is also important when considering anions. This article ex...
Hamiltonian algorithm and its application to the aromatic oxidative cyclization on N-methoxy-N-prenylbenzamide
Hiroyuki Teramae, Kousuke Hayashi, Jun Takayama, Takeshi Sakamoto
AIP Conference Proceedings   1790 020024   2016   [Refereed]
The geometric structures of the phenoxenium cation which is a cation intermediate of 2-azaspiro ring compounds (2-azaspiro[4.5]decane) from N-methoxy-N-prenylbenzamide are studied by means of the Hamiltonian algorithm with ab intio molecular orbit...
Kousuke Hayashi, Jun Takayama, Meiyan Xuan, Misaki Suda, Hiroyuki Teramae, Takeshi Sakamoto
Heterocycles   92(10) 1785-1786   2016   [Refereed]
The synthesis of spirooxindoles with a hypervalent iodine reagent depended on N-substituted benzanilide derivatives as starting materials. Reaction yields of benzanilides containing various N-substituents were discovered to relate to the cis and t...

Conference Activities & Talks

 
Ab Initio Calculation of Polymononucleotide, a Model of B-type DNA [Invited]
Hiroyuki Teramae, Yuriko Aoki
French-Japanese Workshop on Computational Method in Chemistry   2 Jul 2018   
Ab Initio Electronic Structure Calculation of Polymononucleotide, a Model of B-type DNA
Hiroyuki Teramae, Yuriko Aoki
ICQC2018   18 Jun 2018   
Ab Initio Electronic Structure Calculation of Polymononucleotide, a Model of B-type DNA [Invited]
Hiroyuki Teramae, Yuriko Aoki
ICCMSE2018   14 Mar 2018   
Ab initio calculations on polymononucleotide and polydinucleotides as model of B-type DNA polymers
Hiroyuki Teramae, Yuriko Aoki
EUCO-TCC 2017   4 Sep 2017   
Ab initio crystal orbital calculation of electronic structure of B-type model-DNA
Hiroyuki Teramae, Yuriko Aoki
WATOC2017   27 Aug 2017   

Research Grants & Projects

 
Theoretical Study on the Protein Folding
Cooperative Research
Project Year: 2002 - 2007
Theoretical Study on Minor Tranquilizer
The Other Research Programs
Project Year: 2001 - 2006
Toward durg design by Hamiltonian algorithm
Cooperative Research
Non-empirical crystal orbital calculations on one-dimensional polymers
The Other Research Programs