福井洋之 (Hiroyuki Fukui) - マイポータル - researchmap

基本情報

所属: 北見工業大学工学部バイオ環境化学科教授

学位: 工学博士

J-GLOBAL ID: 200901069335012460
researchmap会員ID: 1000002808

研究キーワード

4

研究分野

1

ナノテク・材料 / 基礎物理化学 /

経歴

2

1990年 - 現在

北見工業大学教授
1990年 - 現在

Professor, Kitami Inst. Tech.

学歴

5

MISC

32

Dirac-Hartree-Fock Perturbation Calculation of Magnetic Shielding Using the External Field-Dependent Restricted Magnetic Balance Condition

Satoru Hamaya, Hiroyuki Fukui

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 83(6) 635-642 2010年6月
Relativistic calculation of nuclear magnetic shielding tensor using the regular approximation to the normalized elimination of the small component. III. Introduction of gauge-including atomic orbitals and a finite-size nuclear model

S. Hamaya, H. Maeda, M. Funaki, H. Fukui

JOURNAL OF CHEMICAL PHYSICS 129(22) 224103 2008年12月
Relativistic calculation of nuclear magnetic shielding tensor using the regular approximation to the normalized elimination of the small component. III. Introduction of gauge-including aromic orbitars and a finite-size nuclear model

S. Hamaya, H. Maeda, M. Funaki, H. Fukui

J. Chem. Phys. 129(22) 224103 2008年
Decoupling of the Dirac equation correct to the third order for the magnetic perturbation

Y. Ootani, H. Maeda, H. Fukui

JOURNAL OF CHEMICAL PHYSICS 127(8) 084117 2007年8月
Relativistic calculation of nuclear magnetic shielding tensor using the regular approximation to the normalized elimination of the small component. II. Consideration of perturbations in the metric operator

H. Maeda, Y. Ootani, H. Fukui

JOURNAL OF CHEMICAL PHYSICS 126(17) 174102 2007年5月
Relativistic calculation of nuclear magnetic shielding tensor including two-electron spin-orbit interactions

Y. Ootani, H. Yamaguti, H. Maeda, H. Fukui

JOURNAL OF CHEMICAL PHYSICS 125(16) 164106 2006年10月
Relativistic calculation of nuclear magnetic shielding using normalized elimination of the small component

K Kudo, H Maeda, T Kawakubo, Y Ootani, M Funaki, H Fukui

JOURNAL OF CHEMICAL PHYSICS 124(22) 224106 2006年6月
Relativistic calculation of nuclear magnetic shieldings of xenon difluoride

K Kudo, Y Ootani, M Funaki, H Fukui

JOURNAL OF CHEMICAL PHYSICS 124(11) 116101 2006年3月
Calculation of nuclear magnetic shieldings using an analytically differentiated relativistic shielding formula

K Kudo, H Fukui

JOURNAL OF CHEMICAL PHYSICS 123(11) 114102 2005年9月
Calculation of nuclear magnetic shieldings: infinite-order Foldy-Wouthuysen transformation

H Fukui, T Baba, Y Shiraishi, S Imanishi, K Kudo, K Mori, M Shimoji

MOLECULAR PHYSICS 102(7) 641-648 2004年4月
Calculation of nuclear magnetic shieldings. XV. Ab initio zeroth-order regular approximation method

H Fukui, T Baba

JOURNAL OF CHEMICAL PHYSICS 117(17) 7836-7844 2002年11月
Calculation of nuclear magnetic shieldings - XIV. Relativistic mass-velocity corrected perturbation Hamiltonians

T Baba, H Fukui

MOLECULAR PHYSICS 100(5) 623-633 2002年3月
Calculation of nuclear spin-spin couplings. X. Analytical derivative method of perturbation energy.

J. Chyem. Phys. 112(8) 3532-3539 2000年
Theory and calculation of nuclear spin-spin coupling constants

H Fukui

PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY 35(3) 267-294 1999年10月
Calculation of nuclear magnetic shieldings. XIII. Gange-origin independent relativistic effects

J. Chem. Phys. 110(1) 131-137 1999年
Calculation of nuclear magnetic shieldings. XII. Relativistic no-pair equation.

J. Chem. Phys. 108(10) 3854-3862 1998年
Theory and calculation of nuclear shielding constants

H Fukui

PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY 31(4) 317-342 1997年11月
Calculation of nuclear spin-spin couplings. IX. Vicinal proton-proton coupling conotants in methanol and methylamine.

Mol. Phys. 92(1) 161-165 1997年
Calculation of nuclear magnetic shieldings. XI. Vibrational motion effects.

J. Chem. Phys. 105(11) 4692-4699 1996年
Calculation of muclear magnetic shieldings. X. Relativistic effects.

J. Chem. Phys. 105(8) 3175-3186 1996年

もっとみる

書籍等出版物

28

Nuclear Magnetic Resonance, Vol. 39

The Royal Society of Chemistry 2010年
Theoretical aspects of spin-spin ouplings (Specialist Periodical Reports on Nuclear Magnetic Resonance, Vol. 39).

The Royal Society of Chemistry 2010年
Nuclear Magnetic Resonance, Vol. 38

The Royal Society of Chemistry 2009年
Nuclear Magnetic Resonance, Vol. 38

The Royal Society of Chemistry 2009年
Nuclear Magnetic Resonance, Vol. 37

The Royal Society of Chemistry 2008年
Nuclear Magnetic Resonance, Vol. 37

The Royal Society of Chemistry 2008年
Nuclear Magnetic Resonance, Vol. 36

The Royal Society of Chemistry 2007年
Nuclear Magntic Resonance, Vol. 36

The Royal Society of Chemisty 2007年
Modern Magnetic Resonance

Springer 2006年
Nuclear Magnetic Resonance, Vol. 35

The Royal Society of Chemistry 2006年
Modern Magnetic Rsonance

Springer 2006年
Nuclear Manetic Resonance, Vol. 35

The royal Society of Chemistry 2006年
Nuclear Magnetic Resonance, Vol. 34

The Royal Society of Chemistry 2005年
Nuclear Magnetic Resonance, Vol. 34

The Royal Society of Chemistry 2005年
Nuclear Magnetic Resonance, Vol. 33

The Royal Society of Chemistry 2004年
Theoretical Aspects of Spin-Spin Coupling. (Specialist Periodical Reports)

Nuclear Magnetic Resonance 2004年
Theoretical Aspects of Spin-Spin Couplings (Specialist Periodical Reports)

Nuclear Magnetic Resonance 2003年
Theoretical Aspects of Spin - Spin Couplings (Specialist Periodical Reports).

Nuclear Magnetic Resonace 2002年
Theoretical Aspects of Spin-Spin Couplings(Specialist Periodical Reports).

Nuclear Magnetic Resonance 2001年
Theoretical Aspects of Spin-Spin Couplings(Specialist Periodical Reports).

Nuclear Magnetic Resonance 2000年

もっとみる

講演・口頭発表等

14

NMR遮蔽テンソルの4成分計算

第３回分子科学討論会 2009年
Dirac-Hartree-Fock perturbation calculation of magnetic shieldings using gauge-including atomic orbitals

XIIIth International Congress of Quantum Chemistry 2009年
核磁気遮蔽テンソルの相対論的計算

第２回分子科学討論会 2008年
Relativistic calculation of nuclear magnetic shielding tensors

第４６回ＮＭＲ討論会 2007年
小成分消去法による核磁気遮蔽テンソルの相対論的計算

第1回分子科学討論会 2007年
ユニタリ変換法による核磁気遮蔽テンソルの相対論的計算

第1回分子科学討論会 2007年
Relativistic calculation of nuclear magnetic shielding using normalized elimination of the small component

XIIth International Congress of Quantum Chemistry 2006年
Relativistic calculation of nuclear magnetic shieldings of xenon difluoride

XIIth International Congress of Quantum Chemistry 2006年
Relativistic calculation of nuclear magnetic shieldings using a unitary transformation of the Dirac equation

XIIth International Congress of Quantum Chemistry 2006年
Relativistic calculation of nuclear magntic shielding using normalized elimination of the small component

XIIth International Congress of Quantum Chemistry 2006年
Relativistic calculation of nuclear magnetic shieldings of xenon difluoride

XIIth International Congress of Quantum Chemistry 2006年
Relativitic calculation of nuclear magnetic shieldings using a unitary transformation of the Dirac equation

XIIth International Congress of Quantum Chemistry 2006年
Calculation of nuclear magnetic shieldings using an analytically differentiated relativistic shielding formula

The 44th Annual NMR Meeting of the NMR Society of Japan and The 1st Asia-Pacific NMR Symposium 2005年
Calculation of nuclear magnetic shieldings using an analytically differentiated relativistic shielding formula

The 44th Annual NMR Meeting of the NMR Society of Japan and The 1st Asia-Pacific NMR Symposium 2005年

所属学協会

4

共同研究・競争的資金等の研究課題

5