重田 育照(シゲタ ヤステル)
- 査読付き学術雑誌・国際会議論文
- A Theoretical Study on Reaction Scheme of Silver (I) Containing 5-Substituted Uracils Bridge Formation
Shigeta Yasuteru
JOURNAL OF PHYSICAL CHEMISTRY A/115/pp.8504-8510, 2011-06 - Open-Shell Characters and Second Hyperpolarizabilities of One-Dimensional Graphene Nanoflakes Composed of Trigonal Graphene Units
Shigeta Yasuteru
ChemPhysChem/12(9)/pp.1697-1707, 2011-05 - Molecular Dynamics Studies on the Mutational Structures of a Nylon-6 Byproduct-Degrading Enzyme
Shigeta Yasuteru
CHEMICAL PHYSICS LETTERS/507(1)/pp.157-161, 2011-04 - Giant Enhancement of the Second Hyperpolarizabilities of Open-Shell Singlet Polyaromatic Diphenalenyl Diradicaloids by an External Electric Field and Donor-Acceptor Substitution
Shigeta Yasuteru
JOURNAL OF PHYSICAL CHEMISTRY LETTERS/2(9)/pp.1094-1098, 2011-04 - Electron Conductivity in Modified Models of Artificial Meta-DNA Using Green's Function-Based Elastic Scattering Theory
Shigeta Yasuteru
Bulletin of the Chemical Society of Japan/84(3)/pp.366-375, 2011-03 - Enhancement of Second Hyperpolarizabilities in Open-Shell Singlet Slipped-Stack Dimers Composed of Square Planar Nickel Complexes Involving o-Semiquinonato Type Ligands
Shigeta Yasuteru
JOURNAL OF PHYSICAL CHEMISTRY A/115(6)/pp.1117-1124, 2011-02 - A Simple Scheme for Estimating the pKa Values of 5-Substituted Uracils
Shigeta Yasuteru
CHEMICAL PHYSICS LETTERS/502(4-6)/pp.248-252, 2011-01 - Approximate Spin-Projected Spin-Unrestricted Density Functional Theory Method: Application to the Diradical Character Dependences of the (Hyper) Polarizabilities in p-Quinodimethane Models
Shigeta Yasuteru
CHEMICAL PHYSICS LETTERS/501(1-3)/pp.140-145, 2010-12 - Sequence-Dependent Proton-Transfer Reaction in Stacked GC Pair III: The Influence of Proton Transfer to Conductivity
Shigeta Yasuteru
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY/110(12)/pp.2221-2230, 2010-10 - Energy Compensation Mechanism for Charge-Separated Protonation States in Aspartate-Histidine Amino Acid Residue Pairs
Shigeta Yasuteru
JOURNAL OF PHYSICAL CHEMISTRY B/114(19)/pp.6567-6578, 2010-05 - Effects of Mercury (II) on Structural Properties, Electronic Structure and UV Absorption Spectra of Thymine-Mercury (II)-Thymine Nucleobase Pair Containing Duplex
Shigeta Yasuteru
PHYSICAL CHEMISTRY CHEMICAL PHYSICS/12(4)/pp.909-917, 2010-01 - Molecular Theory Including Quantum Effects and Thermal Fluctuations
Shigeta Yasuteru
Bulletin of the Chemical Society of Japan/82(11)/pp.1323-1340, 2009-11 - Sequence-Dependent Proton-Transfer Reaction in Stacked GC Pair II: The Origin of Stabilities of Proton-Transfer Products
Shigeta Yasuteru
CHEMICAL PHYSICS LETTERS/478(4-6)/pp.238-242, 2009-08 - Theoretical Studies on Magnetic Interactions Between Cu(II) Ions in Hydroxypyridone Nucleobases
Shigeta Yasuteru
polyhedron/28(9-10)/pp.1714-1717, 2009-06 - Theoretical Studies on Magnetic Interactions between Cu(II) Ions in Salen Nucleobases
Shigeta Yasuteru
polyhedron/28(9-10)/pp.1945-1949, 2009-06 - Sequence Dependent Proton-Transfer Reaction in Stacked GC Pair I: The Possibility of Proton-Transfer Reactions
Shigeta Yasuteru
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY/109(10)/pp.2168-2177, 2009-03 - Structural Origin of Copper Ion Containing Artificial DNA: A Density Functional Study
Shigeta Yasuteru
Journal of Physical Chemistry B/112(51)/pp.16960-16965, 2008-12
- A Theoretical Study on Reaction Scheme of Silver (I) Containing 5-Substituted Uracils Bridge Formation