​Userの文献

「掲載誌」 (頭文字をクリックするとジャンプします。)

  • A

    • Advanced Synthesis & Catalysis

    • Analytical Sciences

    • Angewandte Chemie International Edition

    • Archive of Biochemistry & Biophysics

  • B

    • Bioorganic & Medicinal Chemistry

    • Bioorganic & Medicinal Chemistry Letters

    • Bioscience, Biotechnology, and Biochemistry

    • Bulletin of the Chemical Society of Japan

    • Bulletin of the Nuclear Magnetic Resonance Society of Japan

  • C

    • Chemical & Pharmaceutical Bulletin

    • Chemical Physics Letters

    • Chemical Communications

    • Chemistry A European Journal

    • Chemistry & Biology

    • Chemistry Letters

    • Chemometrics & Intelligent Laboratory System

    • Chirality

    • CICSJ Bulletin

    • Computational Biology & Chemistry

    • Computers & Chemistry

  • D

    • Dalton Transactions

  • E

    • ECS Transactions

    • Electrochimica Acta

    • European Journal of Organic Chemistry

  • F

    • Free Radical Biology & Medicine

  • H

    • Heteroatom Chemistry

    • Heterocycles

  • I

    • Integrative Molecular Medicine

    • International Journal of Quantum Chemistry

  • J

    • Journal of the American Chemical Society

    • Journal of Applied Physics

    • Journal of Chemical Education

    • Journal of Chemical Information and Computer Sciences

    • Journal of Chemical Research

    • Journal of Chemical Theory and Computation

    • Journal of Computer Aided Chemistry

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  • M

    • Medicinal Chemistry Research

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    • Nature Communications

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  • O

    • Organic & Biomolecular Chemistry

    • Organic Letters

    • Organometallics

  • P

    • Photochemistry & Photobiology

    • Polymer

  • R

    • Royal Society of Chemistry

  • S

    • Supermolecular Chemistry

    • Synthesis

  • T

    • Tetrahedron

    • Tetrahedron Letters

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    • Wako Infomatic World

    • Wavefunction User Letter

    • 応用物理教育 < Japanese Journal of Applied Phisics Education

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    • 塗料の研究

    • 有機合成化学協会誌 < Journal of Synthetic Organic Chemistry, Japan

    • 理研シンポジウム物質構造解析2014 講演< RIKEN Symposium 2014

    • 量子化学研究協会・研究所誌「量子の世界」

 

​​Advanced Synthesis & Catalysis

■The Direct, Enantioselective, One-Pot, Three-Component, Cross-Mannich Reactionof Aldehydes: The Reason for the Higher Reactivity of Aldimine versus Aldehyde in Proline-Mediated Mannich and Aldol Reactions

著者:Yuujiro Hayashi, Tatsuya Urushima, Mitsuru Shoji, Tadafumi Uchimaru, Isamu Shiina

掲載誌:Adv. Synth. Catal.

発行年:2005

掲載号:347

ページ:1595-160477

Analytical Sciences

■DNA Analysis Based on the Local Structural Disruption to the Duplexes Carrying a Luminous Lanthanide Complex

著者:Toshihiro IHARA, Yusuke KITAMURA, Yusuke TSUJIMURA, Akinori JYO

掲載誌:Analytical Sciences

発行年:2011

掲載号:vol.27 NO.6

ページ:585-590114

Angewandte Chemie International Edition

■Synthesis and Association Behavior of [4.4.4.4.4.4] Metacyclophanedodecayne Derivatives with Interior Binding Groups

著者:Y. Tobe, N. Utsumi, A. Nagano, and K. Naemura

掲載誌:Angew. Chem. Int. Ed.

発行年:1998

掲載号:37

ページ:1285-128718

Archive of Biochemistry & Biophysics

■Mechanistic Studies of Catechins as Antioxidants against Radical Oxidation

著者:Kazunari Kondo, Masaaki Kurihara, Naoki Miyata, Takashi Suzuki and Masataka Toyoda

掲載誌:Archives of Biochemistry & Biophysics

発行年:1999

掲載号:Vol. 362, No.1, Feb.1

ページ:79-8620

Bioorganic & Medicinal Chemistry

■Identification and in silico prediction of metabolites of the model compound, tebufenozide by human CYP3A4 and CYP2C19

著者:Shirotani,N., Togawa, M., Ikushiro, S., Sakaki, T., Harada, T.,Miyagawa, H.,Matsui, M., Nagahori, H., Mikata, K., Nishioka, K., Hirai, N., Akamatsu, M.

掲載誌:Bioorganic & Medical Chem.

発行年:2015

掲載号:23

ページ:6594?6601128

 

■An RNA polymerase inhibitor, cyclothiazomycin B1, and its isomer

著者:Masaru Hashimoto, Takanori Murakami, Katsuyuki Funahashi, Takashi Tokunaga, Ken-ichi Nihei, Toshikatsu okuno, Takatsugu Kimura, Hideo Naoki and Hyota Himeno

掲載誌:Bioorganic & Medical Chem.

発行年:2006

掲載号:14

ページ:8259-827087

 

■Synthetic studies on oligosaccharides composed of 5-thioglucopyranose units

著者:Yasuharu Morii, Hiroko Matsuda, Keiichiro Ohara, Masaru Hashimoto, Kazuko Miyairi and Toshikatsu Okuno

掲載誌:Bioorganic & Medical Chem.

発行年:2005

掲載号:13

ページ:5113-514486

 

■Quantitative Structure-Activity Analyses of Novel Hydroxyphenylurea Derivatives as Antioxidants

著者:K. Nakao, R. Shimizu, H. Kubota, M. Yasuhara, Y. Hashimura, T. Suzuki, T. Fujita, and H. Ohmizu

掲載誌:Bioorganic & Medical Chem.

発行年:1998

掲載号:6

ページ:849-86814

 

■Theoretical Study of Anthracycline Antibiotic Analogues - III. Conformational Analysis on Different 2,6-Dideoxy-2-halo-α-L-hexopyranoses by Molecular Mechanics and Semiempirical Methods

著者:R. E. Bergmi and J. M. Molina

掲載誌:Bioorganic & Medicinal Chemistry

発行年:1996

掲載号:Vol.4, No. 2

ページ:151-163,36

Bioorganic & Medicinal Chemistry Letters

■Structure and biosynthesis of norneolambertellin produced by Lambertella sp. 1346.

著者:Takanori Murakami, Noboru Takada, Warren Hehre, Masaru Hashimoto

掲載誌:Bioorg Med Chem Lett 18

発行年:2008

掲載号:No.18

ページ:4547-4549106

 

■Novel neofusapyrones isolated from Verticillium dahliae as potent antifungal substances.

著者:Miho Honma, Shinji Kudo, Noboru Takada, Kazuaki Tanaka, Tomisato Miura, Masaru Hashimoto

掲載誌:Bioorg Med Chem Lett 20

発行年:2010

掲載号:No.20

ページ:709-712107

 

Bioscience, Biotechnology, and Biochemistry

■Absolute stereochemistry of novel isochromanone derivatives from Leptosphaeria sp. KTC 727.

著者:Wilamfranco C.Tayone, Saki Kanamaru, Miho Honma, Kazuki Tanaka, Tatsuro Nehira, and Masaru Hashimoto

掲載誌:Biosci Biotechnol Biochem 75

発行年:2011

掲載号:No.75

ページ:2390-2393108

Bulletin of the Chemical Society of Japan

■An Empirical Model for StereoChemical Control in the Cyclization of Cyclopropanetricarboxylic Acid Esters

著者:Kento Tanaka, Hitomi Manabe, Raku Irie, and Masato Oikawa

掲載誌:Bull. Chem. Soc. Jpn.

発行年:2019

掲載号:Vol.92, No.8

ページ:1314-1323159

 

■Four Stereoisomers of 2-Aminomethyl-1-cyclopropanecarboxylic Acid: Synthesis and Biological Evaluation

著者:Masato Oikawa, Yuka Sugeno, Hideyuki Tsukada, Yuichi Takasaki Satoshi Takamizawa, and Raku Irie

掲載誌:Bull. Chem. Soc. Jpn.

発行年:2019

掲載号:ny

ページ:ny158

 

■An Effective Method for the reparation of Chiral Polyoxy 8-Membered Ring Enone Corresponding to the B Ring of Taxol

著者:Isamu Shiina, Jun Shibata, Ryoutarou Ibuka, Yumiko Imai, and Teruaki Mukaiyama

掲載誌:Bull. Chem. Soc. Jpn.

発行年:2001

掲載号:Vol.74, No.1

ページ:113-12272

 

■Highly Enantioselective Cyclopropanation of Styrenes and Diazoacetates Catalyzed by 3-Oxobutylideneaminatocobalt(II) Complexes, Part 1. Designs of Cobalt Complex Catalysts and the Effects of Donating Ligands

著者:T. Ikeno, M. Sato, H. Sekino, A. Nishizuka, and T. Yamada

掲載誌:Bull. Chem. Soc. Jpn.

発行年:2001

掲載号:74

ページ:2139-215038

 

■Highly Enantioselective Cyclopropanation of Styrenes and Diazoacetates Catalyzed by 3-Oxobutylideneaminatocobalt(II) Complexes, Part 2. Semiempirical Analysis of Diastereo and Enantioselecivities

著者:T. Ikeno, I. Iwakura, and T. Yamada

掲載誌:Bull. Chem. Soc. Jpn.

発行年:2001

掲載号:74

ページ:2151-216039

Bulletin of the Nuclear Magnetic Resonance Society of Japan

■DFT計算支援による天然物のNMR解析

著者:橋本 勝,福士 江里,Warren Hehre

掲載誌:Bull. NMR. Soc. Jpn.

発行年:2019

掲載号:Vol.10

ページ:14-24163

 

Chemical & Pharmaceutical Bulletin

■DNA Topology on an Increase in Positive Writhing Number of DNA: Conformation Charges in the Time Course of cis-Diamminedichloroplatinum(II)-DNA Adducts

著者:S. Kobayashi, Y. Nakamura, T. Maehara, H. Hamashima, M. Sasatsu, K. Asano, Y. Ohishi, and A. Tanaka

掲載誌:Chem. Pharm. Bull.

発行年:2001

掲載号:49(9)

ページ:1053-106040

 

■Prediction of Endocrine Disruptors Based on a New Structure-Activity Relationship for Sex and Environmental Hormoes Using Chemical Hardness Concept

著者:S. Kobayashi, T. Sugaya, N. Sakata, M. Umebayashi, K. Sameshima, and A. Tanaka

掲載誌:Chem. Pharm. Bull.

発行年:2001

掲載号:49(6)

ページ:680-68841

 

■Studies on Photochemical Reaction of Air Pollutants. XV.Photoreactivity of Heptachloro-3'-cyclopentenyldioxy Heptachloro-2-cyclopentene Formed by Exposure of Hexachlorocyclopentadiene to Ultraviolet Light in Air

著者:Kazuhiro Nojima, Hiroshi Miyamae, and Yasuko Yamaashi

掲載誌:Chem. Pharm. Bull.

発行年:2006

掲載号:54(3)

ページ:338-34368

 

Chemical Physics Letters

■Radiative and nonradiative processes of meridional and facial isomers of heteroleptic iridium-trischelete complexes

著者:Takashi Karatsu, Etsuko Ito, Shiki Yagai, Akihide Kitamura

掲載誌:Chemical Physics Letters

発行年:2006

掲載号:424

ページ:353-35784

 

Chemical Communications

■Notable Norbornene(NBE) incorporation in ethylene-NBE copolymerization catalysed by nonbridged half-titanocenes: better correlation between NBE incorporation and coordination energy

著者:K. Nomura, W. Wang, M. Fujiki, J. Liu

掲載誌:Chemical Communications

発行年:2006

ページ:2659-266182

 

■Novel and efficient chiral sulfideoxathiane ligands for palladium-catalyzed asymmetric allylic alkylation

著者:Yuko Okuyama, Hiroto Nakano, Kouichi Takahashi, Hiroshi Hongo, Chizuko Kabuto

掲載誌:Chemical Communications

発行年:2003

ページ:524-52590

 

■Asymmetric Total Synthesis of Taxol

著者:Teruaki Mukaiyama. Isamu Shiina, Hayato Iwadare, Masahiro Saitoh, Toshihiro Nishimura,Naoto Ohkawa, Hiroki Sakoh, Koji Nishimura, Yu-ichirou Tani, Masatoshi Hasegawa,Koji Yamada, and Katsuyuki Saitoh

掲載誌:Chem. Eur. J.

発行年:1999

掲載号:5, No.1

ページ:121-16171

 

■Diastereoselectivivy controlled by electrostatic repulsion between the negative charge on a trifluoromethely group and that on aromatic rings

著者:T. Katagiri, S. Yamaji, M. Handa, M. Irie and K. Uneyama

掲載誌:Chem. Commun.

発行年:2001

ページ:2054-205542

 

■First molecular and electronic structure determination of the dicationic salt of 1,11-(methanoselenomethano)-5H, 7H-dibenzo[b,g][1,5]diselenocin by X-ray crystallographic analysis and ab initio calculation

著者:T. Nakahodo, O. Takahashi, E. Horn, and N. Furukawa

掲載誌:Chem. Commun.

発行年:1997

ページ:1767-17687

 

■Polymer-like complexes bridged by a fluorine substituent of the side arm in the 3’,5’-difluoro-4’-hydroxybenzyl-armed monoaza-15-crown-5 ether

著者:Y. Habata, T. Saeki,a S. Akabori,a X. X. Zhang, and J. S. Bradshaw

掲載誌:Chem. Comm.

発行年:2000

ページ:1469-147030

 

■A phenyl-capped aniline tetramer for Z907/tert-butylpyridine-based dye-sensitized solar cells and molecular modelling of the device

著者:Kazuhiro Manseki, Youhai Yu and Shozo Yanagida

掲載誌:Chem. Comm.

発行年:2013

ページ:1416-1418122

 

Chemistry A European Journal

■Direct Enantioselective Amination of alpha-Ketoesters Catalyzed by an Axially Chiral Guanidine Base

著者:Masahiro Terada, Kei Amagai, Kenichi Ando, Eunsang Kwon Hitoshi Ube

掲載誌:Chem. Eur. J.

発行年:2011

掲載号:17

ページ:9037-9041110

 

■Kinetic Resolution of the Racemic 2-Hydroxyalkanoates Using the Enantioselective Mixed-Anhydride Method with Pivalic Anhydride and a Chiral Acyl-Transfer Catalyst

著者:Isamu Shiina, Kenya Nakata, Keisuke Ono, Masuhiro Sugimoto, and Akihiro Sekiguchi

掲載誌:Chem. Eur. J.

発行年:2010

掲載号:16

ページ:167-172104

 

Chemistry & Biology

■Possible cause of G・C → C・G transversion mutation by guanine oxidation product, imidazolone

著者:K. Kino, H. Sugiyama

掲載誌:Chemistry & Biology

発行年:2001

掲載号:8/4

ページ:369-37834

 

Chemistry Letters

■Enantioselective Alkylation of Aldehydes with Diethylzinc Using a New Calatyst System,((R)-Thiolan-2-yl)diphenylmethanol and Metal Alkoxides

著者:Isamu Shiina, Katsuhiro Konishi, and Yu-suke Kuramoto

掲載誌:Chemistry Letters

発行年:2002

掲載号:No.2

ページ:164-16573

 

■σ-Delocalized hexakis(methylthio)benzene dication: A possible intermediate of Pummerer-type rearrangement of monooxide of hexakis (methylthio)benzene

著者:K. Kobayashi, O. Takahashi, K. Namatame, O. Kikuchi, and N. Furukawa

掲載誌:Chem. Lett.

発行年:1998

ページ:515-51612

 

Chemometrics & Intelligent Laboratory System

■Rational choice of bioactive conformations through use of conformations analysis and 3-way partial least squares modeling.

著者:K. Hasegawa, M. Arakawa, K. Funatsu

掲載誌:Chemometrics and Intelligent Laboratory System

発行年:2000

掲載号:50

ページ:253-226147

 

Chirality

■Absolute stereochemistry of altersolanol A and alterporriols.

著者:Kanamaru S, Honma M, Murakami T, Tsushima T, Kudo S, Tanaka K, Nihei K, Nehira T, Hashimoto M.

掲載誌:Chirality

発行年:2012

掲載号:24

ページ:137-146111

 

■Diastereoselective [2+2] Photocycloaddition of Chiral Cyclohexenonecarboxylates to Ethylene

著者:Ken Tsutumi, Katsunori Endou, Akinori Furutani, Tomomi Ikki, Hiroaki Nakano, Takuya Shintani, Tsumoru Morimoro and Kiyomi Kakiuchi

掲載誌:Chirality

発行年:2003

掲載号:15

ページ:504-50956

 

CICSJ Bulletine

■Spartan Essentialを導入して ~演習講義「コンピュータ分子設計学」への展開~

著者:橋本 勝

掲載誌:CICSJ Bulletine

発行年:2008

掲載号:Vol 26 No.4

ページ:106-11399

 

■グレープフルーツジュース-薬物間相互作用のQSAR解析 ~MobyDigsを用いた回帰モデル式の構築と評価~

著者:植沢 芳広

掲載誌:CICSJ Bulletine

発行年:2008

掲載号:Vol 26 No.4

ページ:114-11798

 

Computational Biology & Chemistry

■Multi-Way PLS modeling of structure-activity data by incorporating electrostatic and lipophilic potentials on molecular surface

著者:Kiyoshi Hasegawa, Shigeo Matsuoka, Masamoto Arakawa, and Kimio Funatsu

掲載誌:Computational Biology and Chemistry

発行年:2003

掲載号:27

ページ:381-38667

 

■Simultaneous determination of bioactive conformations and alignment rules by multi-way PLS modeling

著者:Kiyoshi Hasegawa, Masamoto Arakawa, and Kimito Funatsu

掲載誌:Computational Biology and Chemistry

発行年:2003

掲載号:17

ページ:211-21666

 

Computers & Chemistry

■New molecular surface-besed 3D-QSAR method using Kohonen neural network and 3-way PLS

著者:K. Hasegawa, S. Matsuoka, M. Arakawa, K. Funatsu

掲載誌:Computers and Chemistry

発行年:2002

ページ:1-748

 

Dalton Transactions

■C–H⋯Cl− hydrogen bonds in solution and in the solid-state: HgCl2 complexes with cyclen-based cryptands

著者:Mari Ikeda, Ajay Kumar Sah, Miki Iwase, Rina Murashige, Jun-ichi Ishi-i, Masatoshi Hasegawa, Chihiro Kachi-Terajima, Ki-Min Park, Shunsuke Kuwahara and Yoichi Habata

掲載誌:Dalton Trans.

掲載号:Vol.46 No.12

発行年:2017,

ページ:3800-3804157

 

■Argentivorous molecules bearing three aromatic side arms: synthesis of triple-armed cyclens and their complexing property towards Ag+

著者:Yoich. Habata, Juli Kizaki, Yasuhiro Hosoi, Mari Ikeda and Shunsuke Kuwahara

掲載誌:Dalton Trans.

掲載号:Vol.44

発行年:2015,

ページ:1170-1177156

 

■Argentivorous molecules with two kinds of aromatic side-arms: intramolecular competition between side-arms

著者:Yoichi Habata, Yosuke Oyama, Mari Ikeda and Shunsuke Kuwahara

掲載誌:Dalton Trans.

掲載号:Vol.42,No.23

発行年:2013,

ページ:8149-8520155

 

■Dimetallo[3.3]para- and metacyclophanes by self-assembly of pyridylmethyl armed-monoazatrithia- and monoazadithiaoxa-12-crown-4 ethers with Ag+ ions.

著者:Y. Habata and F. Osaka

掲載誌:Dalton Trans.

発行年:2006

ページ:1836-1841154

 

■The effect of counter cations on second-order asymmetric transformations in fac-Δ- and Λ-tris(R-cysteinato-N, S) cobaltate(III) complexs and the kinetics of mutarotation

著者:Masakazu Kita and Kazunari Yamanari

掲載誌:Dalton Trans.

発行年:1999

ページ:1221-122619

 

ECS Transactions

■Molecular-orbital-based verification of water photo-splitting on Pt-loaded Ti2 Effective formation of HOOH and reduced platinum cluster as precursors of O2 and H2

著者:Shozo Yanagida, Susumu Yanagisawa, Koichi Yamashita Ryota Jono and Hiroshi Segawa

掲載誌:ECS Transactions

発行年:2017

掲載号:80(10)

ページ:1091-1112131

 

Electrochimica Acta

■Theoretical Evaluation of Electron Transport in Aniline Tetramer-based Dye-sensitized Solar Cells

著者:Shozo Yanagida, Kazuhiro Manseki and Hiroshi Segawa

掲載誌:Electrochimica Acta

発行年:2015

掲載号:Vol. 179

ページ:169-173125

 

European Journal of Organic Chemistry

■Computer-Aided Molecular Design of Hydrogen Bond Equivalents of Nucleobase: Theoretical Study of Substituent Effects on the Hydrogen Bond Energies of Nucleobase Pairs

著者:Shun-ichi Kawahara and Tadafumi Uchimaru

掲載誌:Eur. J. Org. Chem.

発行年:2003

ページ:2577-258469

 

Free Radical Biology & Medicine

■Scavenging Mechanisms of (-)-Epigallocatechin Gallate and (-)-Epicatechin Gallete on Peroxyl Radicals and Formation of Superoxide during the Inhibitory action

著者:Kazunari Kondo, Masaaki Kurihara, Naoki Miyata, Takashi Suzuki and Masataka Toyoda

掲載誌:Free Radical Biology & Medicine

発行年:1999

掲載号:Vol. 27, Nos. 7/8

ページ:855-86321

 

Heteroatom Chemistry

■Ab initio conformational analysis of 1,5-dithiacyclooctane, 1,5-diselenacyclooctane, and 1,5-ditelluracyclooctane

著者:N. Nakayama, O. Takahashi, O. Kikuchi, and N. Furukawa

掲載誌:Heteroatom Chem.

発行年:1999

掲載号:10(2)

ページ:159-16613

 

Heterocycles

■X-ray crystallographic analysis of 2,5-bis(diphenylmethylsilyl)thiophene monooxide and the Diels-Alder reaction of thiophene monooxide with dienophiles

著者:N. Furukawa, S.-Z. Zhang, E. Horn, O. Takahashi, and S. Sato

掲載誌:Heterocycles

発行年:1998

掲載号:47

ページ:793-80910

 

Integrative Molecular Medicine

■Quantum Chemistry-based verification of antioxidative action of iodide in mitochondria

著者:Shozo Yanagida, Akio Kaname, Nobuyuki Murakami

掲載誌:Integr Mol Med.

発行年:2019

掲載号:Vol.6

ページ:164

 

■Quantum Chemistry molecular modeling for longevity: Importance of antioxidative effects in mitochondria as battery of cells

著者:Shozo Yanagida, Kenji Osabe, Nobuyuki Murakami

掲載誌:Integr Mol Med.

発行年:2019

掲載号:Vol.6

ページ:165

 

International Journal of Quantum Chemistry

■Structure of the T1-state wave function of linear polyenes

著者:O. Takahashi, M. Watanabe, and Osamu Kikuchi

掲載誌:Int. J. Quantum Chem.

発行年:1998

掲載号:67

ページ:101-10611

 

Journal of the American Chemical Society

■An Oxazaphospholidine Approach for the Stereocontrolled Synthesis of Oligonucleoside Phosphorothioates

著者:Natsuhiko Oka, Takeshi Wada, and Kazuhiko Saigo

掲載誌:JACS

発行年:2003

掲載号:125

ページ:8307-831759

 

■Crystal structures and ab initio calculations of new dicationic telluranes (λ4-tellane), [10-Te-4(C2X2)]2+ (X = S, Se): Positively charged hypervalent bonding systems

著者:A. B. Bergholdt, K. Kobayashi, E. Horn, O. Takahashi, S. Sato, N. Furukawa, M. Yokoyama, and K. Yamaguchi

掲載誌:JACS

発行年:1998

掲載号:120

ページ:1230-12369

 

■Effect of Guanine Stacking on the Oxidation of 8-Oxoguanin in B-DNA

著者:Ferran Prat, K. N. Houk, and Christopher S. Foote

掲載誌:JACS

発行年:1998

掲載号:120

ページ:845-84633

 

■Electrochemical Behavior and Characterization of Semiquinone Radical Anion Species of Coenzyme PQQ in Aprotic Organic Media.

著者:Shinobu Itoh, Hirokatsu Kawakami, and Shunichi Fukuzumi

掲載誌:JACS

発行年:1998

掲載号:120(29)

ページ:7271-727727

 

■First Isolation and Molecular Structure of Bis(2,2'-biphenylylene)sulfuranyl Bis(tetrafluoroborate) [8-S-4(C4)]2+

著者:S. Sato, H. Ameta, E. Horn, O. Takahashi and N. Furukawa

掲載誌:JACS

発行年:1997

掲載号:Vol. 119, No. 50

ページ:12374-1237546

 

■Highly Selective DNA Alkylation at 5' Side G of 5' GG3' Sequence by an Aglycon Model of Pluramycin Antibiotics through Preferential Intercalation into GG Step

著者:Nakatani K., Okamoto A., Matsuno T., and Saito I.

掲載誌:JACS

発行年:1998

掲載号:120

ページ:11219-1122525

 

■Kinetic Resolution of Racemic α-Arylalkanoic Acids with Achiral Alcohols via the Asymmetric Esterification Using Carboxylic Anhydrides and Acyl-Transfer Catalysts

著者:Isamu Shiina, Kenya Nakata, Keisuke Ono, Yu-suke Onda, and Makoto Itagaki

掲載誌:JACS

発行年:2010

掲載号:132

ページ:11629-11641105

 

■Stepwise Bond Formation in Photochemical and Thermal Diels-Alder Reactions of C60 with Danishefsky's Dienes

著者:Koichi Mikami, Shoji Matsumoto, Yasutaka Okubo, Mamoru Fujitsuka, Osamu Ito, Tomoyoshi Suenobu, and Shunichi Fukuzumi

掲載誌:JACS

発行年:2000

掲載号:122(10)

ページ:2236-224328

 

■Theoretical Studies of GG-Specific Photocleavage of DNA via Electron Transfer: Significant Lowering of Ionization Potential and 5'-Localization of HOMO of Stacked GG Bases in B-Form DNA

著者:H. Sugiyama and I. Saito

掲載誌:JACS

発行年:1996

掲載号:Vol.118, No.30

ページ:70633

 

■Theoretical Studies of Heteroatom-Directed Cabometalation, Addition of MeCu, Me2Cu-, and MeLi to Substituted Acetylens

著者:M. Nakamura, Y. Miyachi, N. Koga, and K. Morokuma

掲載誌:JACS

発行年:1992

掲載号:Vol.114, No.17

ページ:66861

 

■Theoretical Studies on the Reaction of Solvated Methyllithium Open Dimer With Aldehyde

著者:M. Nakamura and E. Nakamura

掲載誌:JACS

発行年:1993

掲載号:Vol.115, No.23

ページ:110162

 

■α-Diazo Ketones as Photochemical DNA-Cleavers: A Mimic for Radical Generating System of Neocarzinostatin Chromophore

著者:Nakatani K., Maekawa S., Tanabe K., and Saito I.

掲載誌:J.Am.Chem.Soc.

発行年:1995

掲載号:117

ページ:10635-1064423

 

■Silver Ion Unusually Stabilizes the Structure of a Parallel-Motif DNA Triplex

著者:Toshihiro Ihara , Tatsuaki Ishii, Norie Araki, Anthony W. Wilson and Akinori Jyo

掲載誌:J. Am. Chem. Soc.

発行年:2009

掲載号:Vol. 131(11)

ページ:3826-3827113

 

Journal of Applied Physics

■Novel ion-molecular surface reaction to result in CH3 adsorbates on (111) surface of chemcal vapor deposition diamond from ethane and surface anionic sites

著者:S. Komatsu, K. Okada, Y. Shimizu, Y. Moriyoshi

掲載誌:J. Appl. Phys.

発行年:2001

掲載号:Vol. 89, No. 12

ページ:8291-829635

 

■Stable anionic site on hydrogenated (111) surface of diamond resulting from hydrogen atom removal under chemical vapor deposition conditions

著者:S. Komatsu

掲載誌:J. Appl. Phys.

発行年:1996

掲載号:80(6)

ページ:3319-332015

 

■Structural stability of hydrogenated (100) surface of cubic boron nitride in comparison with diamond

著者:S. Komatsu, W. Yarbrough, and Y. Moriyoshi

掲載誌:J. Appl. Phys.

発行年:1997

掲載号:81(12)

ページ:7798-780516 

 

 
 
 
 
 
 
 
 
 

 

Journal of Chemical Education

■A Comparative Study of Successful Central Nervous System Drugs Using Molecular Modeling

著者:Hyosub Kim, Segun Sulaimon, Sandra Menezes, Anne Son, and Warren J.C.Menezes

掲載誌:J. Chem. Edu.

発行年:2011

掲載号:Vol.88

ページ:1389-1393112

 

■Teaching 1H-NMR Spectrometry Using Computer Modeling

著者:Y. Habata and S. Akabori

掲載誌:J. Chem. Edu.

発行年:2001

掲載号:Vol.78

ページ:121-12331

 

Journal of Chemical Theory and Computation

■Self-Consistent Reaction Field Model for Aqueous and Nonaqueous Solutions Based on Accurate Polarized Partial Charges

著者:Aleksandr V. Marenich , Ryan M. Olson , Casey P. Kelly , Christopher J. Cramer ,* and Donald G. Truhlar *

掲載誌:J. Chem. Theory Comput.

発行年:2007

掲載号:Vol3(6)

ページ:2011-203307

 

Journal of Chemical Information and Computer Sciences

■Application of the Novel Molecular Alignment Method Using the Hopfield Neural Network to 3D QSAR

著者:Masamoto Arakawa, Kiyoshi Hasegawa, and Kimito Funatsu

掲載誌:J. Chemical Information and Computer Sciences

発行年:2003

掲載号:Vol43(5)

ページ:1396-140265

 

■Novel Alignment Method of Small Molecules Using the Hopfield Neural Network

著者:Masamoto Arakawa, Kiyoshi Hasegawa, and Kimito Funatsu

掲載誌:J. Chemical Information and Computer Sciences

発行年:2003

掲載号:Vol43(5)

ページ:1390-139564

 

Journal of Chemical Research

■Ab initio Study of Nucleophilic Aromatic Substitution of Polyfluorobenzen

著者:Kiyoshi Tanaka, Makoto Deguchi, and Satoru Iwata

掲載誌:J. of Chem. Research(S)

発行年:1999

ページ:528-52926

 

Journal of Computer Aided Chemistry

■Hopfield Neural Network を用いた新しい分子重ね合わせ手法の 3D-QSAR への応用

著者:荒川正幹、長谷川清、船津公人

掲載誌:Journal of Computer Aided Chemistry

発行年:2002

掲載号:Vol. 3

ページ:63-7251

 

■Hopfield Neural Networks を用いた新しい分子重ね合わせ手法

著者:荒川正幹、長谷川清、船津公人

掲載誌:Journal of Computer Aided Chemistry

発行年:2001

掲載号:Vol. 2

ページ:29-3650

 

■Kohonen ネットワークと 3wayPLS 法を用いた新しい 3D-QSAR 手法の開発

著者:松岡成郎、長谷川清、荒川正幹、船津公人

掲載誌:Journal of Computer Aided Chemistry

発行年:2000

掲載号:Vol. 1

ページ:22-3449

 

Journal of The Electrochemical Society

■Molecular Orbital-Based Verification of Conductivity of Tetramethylammonium Pentaiodide and Pentaiodide-Based Electrolytes in Dye-Sensitized Solar Cells

著者:Shozo Yanagida, Susumu Yanagisawa and Hiroshi Segawa

掲載誌:Journal of The Electrochemical Society

発行年:2015

掲載号:Vol. 162(10)

ページ:E263-E270119

 

Journal of Electron Spectroscory and Related Phenomena

■Electronic structures of melatonin and related compounds studied by photoelectron spectroscopy

著者:Maki Kubota, Tsunetoshi Kobayashi

掲載誌:Journal of Electron Spectroscory and Related Phenomena

発行年:2003

掲載号:128

ページ:165-178126

 

Journal of Heterocyclic Chemistry

■Armed-azacrown Ethers Having Dual Binding Sites in a Side Arm: Complexing Abilities and Crystal Structure of Two Alkali-metal Complexes

著者:Y. Habata, T. Saeki, S. Akabori, X. X. Zhang, and J. S. Bradshaw

掲載誌:J. Heterocyclic Chem., in press.32

 

■Syntheses of Armed-Azacrown Ethers by the Mannich Reaction: Molecular Structures and Reaction Mechanism for the Side Reaction Products

著者:Y. Habata, T. Saeki, A. Watanabe, S. Akabori, and J. S. Bradshaw

掲載誌:J. Heterocyclic Chem.

発行年:1999

掲載号:36

ページ:355-36229

 

Journal of Material Research

■Photochemical depassivation of hydrogenated (100) nitrogen surface of cubic boron nitride

著者:S. Komatsu

掲載誌:J. Mater. Res.

掲載号:12(7)

ページ:1675-167717

 

Journal of Molecular Structure

■Calorimetric determinations and theoretical calculations of polymorphs of thalidomide

著者:F.Lala-Ochoa,G.Espinosa Perez,F.Mijangos-Santiago

掲載誌:J. Molstruc

掲載号:840(2007)

ページ:97-106101

 

Journal of Organic Chemistry

■Design and Synthesis of Isonucleosides Constructed on a 2-Oxa-6-thiabicyclo[3.2.0]heptane Scaffold

著者:Yuichi Yoshimura, Kazuhiro Asami, Tomozumi Imamichi, Tomoko Okuda, Kimiyasu Shiraki, and Hiroki Takahata

掲載誌:J. Org. Chem.

発行年:2010

掲載号:Vol. 75, No. 12

ページ:4161-4171103

 

■Diastereoselective Diels-Alder Reaction of 2-(α,β-Unsaturated)acyl-3-phenyl-l-menthopyrazoles

著者:C. Kashima, K. Fukusaka, K. Takahashi, and Y. Yokoyama

掲載誌:J. Org. Chem.

発行年:1999

掲載号:Vol. 64, No. 4

ページ:1108-111444

 

■Different Reaction Modes for the Oxidative Dimerization of Epoxyquinols and Epoxyquinones. Importance of Intermolecular Hydrogen-Bonding

著者:Mitsuru Shoji, Hiroki Imai, Isamu Shiina, Hideaki Kakeya, Hiroyuki Osada, and Yujiro Hayashi

掲載誌:J. Org. Chem.

発行年:2004

掲載号:Vol. 69

ページ:1548-155676

 

■Enantio- and Diastereoselective Total Synthesis of EI-1941-1, -2, and -3,Inhibitors of Interleukin-1β Converting Enzyme, and Biological Properties of Their Derivatives

著者:Mitsuru Shoji, Takeo Uno, Hideaki Kakeya, Rie, Onose, Isamu Shiina, Hiroyuki Osada, and Yujiro Hayashi

掲載誌:J. Org. Chem.

発行年:2005

掲載号:Vol. 70,

ページ:9905-991578

 

■Evidence of transannular bonding interaction between two sulfur atoms on photolysis of naphtho[1,8-ef][1,4]dithiepins

著者:T. Fujii, O. Takahashi, and N. Furukawa

掲載誌:J. Org. Chem.

発行年:1996

掲載号:61

ページ:6233-62395

 

■Synthesese and Theoretical Studies of Exocyclic γ-Oxoalkenyltrimethyl silanes. An Approach to the Stereodefined Exocyclic Tetrasubstituted Alkenes

著者:Nakatani K., Izawa T., and Isoe S.

掲載誌:J.Org.Chem.

発行年:1994

掲載号:59

ページ:5961-596922

 

Journal of Photochemistry and Photobiology

■Guanine-specific DNA oxidation photosensitized by the tetraphoenylporphyrin phosphorus(V) complex via singlet oxygen generation and electron transfer

著者:Hirakawa K., Kawanishi S., Hirano T., Segawa H.

掲載誌:

J.Photochem. Photobio.

発行年:2007

掲載号:87

ページ:209-21795

 

Journal of Photopolymer Science and Technology

■Changes of electron Donation by Substituents for SN Ylides Obtained by ab initio Calculations

著者:Minato S., Tokita S., Seno M.

掲載誌:

J. Photopolym. Sci. Technol.

発行年:2006

掲載号:Vol.19 No. 1

ページ:9-1488

 

Journal of Physical Chemistry

■Intermolecular Interaction as the Origin of Red Shifts in Absorption Spectra of Zinc-Phthalocyanine from First-Principles

著者:Susumu Yanagisawa, Taiga Yasuda, Kouji Inagaki, Yoshitada Morikawa, Kazuhiro Manseki, and Shozo Yanagida

掲載誌:

J. Phys. Chem. A,

発行年:2013

掲載号:44

ページ:11246?11253124

 

Journal of Wood Science

■Predicting the hydroxymethylation rate of phenols with formaldehyde by molecular orbital calculation

著者:Tohru Mitsunaga, Anthony H. Conner, Charles G. Hill, Jr.

掲載誌:J Wood Sci.

発行年:2002

掲載号:48

ページ:153-15855

 

Medicinal Chemistry Research

■N -Substituted calothrixin B derivatives inhibited the proliferation of HL-60 promyelocytic leukemia cells

著者:Noriyuki Hatae, Risa Satoh, Hitomi Chiba, Takahiro Osaki, Takashi Nishiyama, Minoru Ishikura, Takumi Abe, Satoshi Hibino, Tominari Choshi, Chiaki Okada, Eiko Toyota

掲載誌:Med Chem Res

発行年:2014-11

掲載号:23

ページ:4956-4961118

 

Molecules

■Theoretical Verification of Photoelectrochemical Water Oxidation Using Nanocrystalline TiO2 Electrodes

著者:Shozo Yanagida, Susumu Yanagisawa, Koichi Yamashita, Ryota Jono and Hiroshi Segawa

掲載誌:Molecules

発行年:2015-05

掲載号:20

ページ:9732-9744123

 

Mutation Research

■Metal-mediated oxidative damage to cellular and isolated DNA by gallic acid, a metabolite of antioxidant propyl gallate

著者:Hatasu Kobayashi, Shinji Oikawa, Kazutaka Hirakawa, Shosuke Kawanishi

掲載誌:Mutation Research

発行年:2004

掲載号:558

ページ:111-12060

 

Nature Communications

■Metal ion-directed dynamic splicing of DNA through global conformational change by intramolecular complexation

著者:Toshihiro Ihara, Hiroyuki Ohura, Chisato Shirahama, Tomohiro Furuzono, Hiroshi Shimada, Hirotaka Matsuura & Yusuke Kitamura

掲載誌:Nature Communications

発行年:2014

掲載号:6

ページ:6640115

 

Naturel Procucts

■Computation-Assisted Structural Elucidation of Epoxyroussoeone and Epoxyroussoedione Isolated from Roussoella japanensis KT1651

著者:Yuna Honmura , Hiroto Takekawa , Kazuaki Tanaka , Hayato Maeda , Tatsuo Nehira , Warren Hehre , and Masaru Hashimoto

掲載誌:Nature Communications

発行年:June 25, 2015

掲載号:10

ページ:1021116

 

Organic & Biomolecular Chemistry

■MS/MS fragmentation-guided search of TMG-chitooligomycins and their structure?activity relationship in specific β-N-acetylglucosaminidase inhibition

著者:Hirokazu Usuki, Yukihiro Yamamoto, Yuya Kumagai, Teruhiko Nitoda, Hiroshi Kanzaki and Tadashi Hatanaka

掲載誌:Org. Biomol. Chem.

発行年:2011

掲載号:Vol.9

ページ:2943-2951109

 

■Synthesis, transacylation kinetics and computational chemistry of a set of arylacetic acid 1β-O-acyl glucuronides

著者:Neil G. Berry, Lisa Iddon, Mazhar Iqbal, Xiaoli Meng, Prabha Jayapal, Caroline H. Johnson, Jeremy K. Nicholson, John C. Lindon, John R. Harding, Ian D. Wilsonc and Andrew V. Stachulski

掲載誌:Org. Biomol. Chem.

発行年:2009

掲載号:Vol.7

ページ:2525-2533117

 

Organic Letters

■Toward he Synthesis of Yuzurimine-Type Alkaloids: Stereoselective Construction of Heterocyclic Portions of Deoxyyuzurimine and Macrodaphnine

著者:Ichiro Hayakawa, Ryosuke Nagatani, Masaki Ikeda, Dong-eun Yoo, Keita Saito, Hideo Kigoshi, and Akira Sakakura

掲載誌:Organic Letters

発行年:2019

掲載号:21

ページ:6337-6341162

 

■Computational Study on the Reaction Mechanism of the Key Terminal [4+4] Cycloaddition Reaction in the Biosynthesis of Epoxytwinol A

著者:Isamu Shiina, Tadafumi Uchimaru, Mitsuru Shoji, Hideaki Kakeya, Hiroyuki Osada, and Yujiro Hayashi

掲載誌:Organic Letters

発行年:2006

掲載号:Vol.8 No. 6

ページ:1041-104479

 

Organometallics

■Synthesis of Various (Arylimido)vanadium(V)-Methyl Complexes Containing Ketimide Ligands and Reactions with Alcohols, Thiols, and Barates: Implications for Unique Reactivity toward Alchols

著者:Junji Yamada, Michiya Fujiki, and Kotohiro Nomura

掲載誌:Organometallics

発行年:2007

掲載号:Vol.26 No. 10

ページ:2579-258891

 

Photochemistry & Photobiology

■Base Oxidation at 5' Site of GG Sequence in Double-stranded DNA Induced by UVA in the Presence of Xanthone Analogues:Relationship Between the DNA-damaging Abilities of Photosensitizers and Their HOMO Energies

著者:Kazutaka Hirakawa, Mami Yoshida, Shinji Oikawa and Shosuke Kawanishi

掲載誌:Photochemistry and Photobiology

発行年:2003

掲載号:77(4)

ページ:349-35554

 

■The Microenvironment of DNA Switches the Activity of Singlet Oxygen Generation Photosensitized by Berberine and Palmatine

著者:Kazutaka Hirakawa, Toru Hirano

掲載誌:Photochemistry and Photobiology

発行年:2008

掲載号:84

ページ:202-20896

 

Polymer

■Synthesis and properties of novel poly(tetramethylsilnaphthylenesiloxane) derivatives

著者:Yumiko Otomo, Yu Nagase, Nobukatsu Nemoto

掲載誌:Polymer

発行年:2005

掲載号:46

ページ:9714-972497

 

Royal Society of Chemistry

■Dynamic and static behavior of the E?E′ bonds (E, E′ = S and Se) in cystine and derivatives, elucidated by AIM dual functional analysis

著者:Yutaka Tsubomoto, Satoko Hayashia and Waro Nakanishi

掲載誌:RSC Adv.

発行年:2015

掲載号:Vol 5

ページ:11534-11540120

 

Supermolecular Chemistry

■Interstand H-aggregation of Cationic Dyes for Narrowing the Absorption Spectra and Stabilizing Duplex

著者:Hiromu Kashida, Hiroyuki Asanuma, and Makoto Komiyama

掲載誌:Supermolecular Chemistry

発行年:2004

掲載号:Vol 16(6)

ページ:459-46463

 

Synthesis

■Practical Syntheses of Enantiomerically Pure Key Intermediates of Opioid Recepter-like 1(ORL1) Antagonists

著者:Takashi Yoshizumi, Akio Ohno, Tomohiro Tsujita, Hirobumi Takahashi, Osamu Okamoto, Ichiro Hayakawa, Hideo Kigoshi

掲載誌:Synthesis

発行年:2009

掲載号:No.7

ページ:1153-1162129

 

Tetrahedron

■Stereoselective Synethesis of (-)-decarestrictine G

著者:Ryo Katsuta, Shota Fujikawa, Arata Yajima, Tomoo Nukada

掲載誌:Tetrahedron

発行年:2015

掲載号:71

ページ:3428-3432161

 

■6-Endo- and 5-Exo-digonal Cyclization of o-Hydoroxy Ethynyl Ketones: A Key Step for Highly Selective Benzopyranone Formation

著者:Nakatani K., Okamoto A., and Saito I.

掲載誌:Tetrahedron

発行年:1996

掲載号:52

ページ:9427-943624

 

■Chiral recognition and chiral sensing using zinc porphyrin dimers

著者:Takashi Hayashi, Toshihiro Aya, Masanori Nonoguchi, Tadashi Mizutani, Yoshio Hisaeda,Susumu Kitagawa, and Hisanobu Ogoshi

掲載誌:Tetrahedron

発行年:2002

掲載号:Vol 58

ページ:2803-281170

 

■Isolation and structure of bis(2,2'-biphenylylene)dichloro- and -difluoropertelluranes, [12-Te-6(C4X2), X = Cl, F] (λ6-tellane)

著者:S. Sato, T. Yamashita, E. Horn, O. Takahashi, N. Furukawa, M. Yokoyama, and K. Yamaguchi

掲載誌:Tetrahedron

発行年:1997

掲載号:53

ページ:12183-121946

 

■Isolation and Structure of Bis(2,2'-biphenylylene)dichloro- and -difluoropertelluranes, [12-Te-6(C4X2), X = Cl, F] (λ6-Tellane)

著者:S. Sato, T. Yamashita, E. Horn, O. Takahashi, N. Furukawa

掲載誌:Tetrahedron

発行年:1997

掲載号:Vol. 53, No. 36

ページ:12183-1219445

 

■Synthesis and conformation of 3',4'-BNA monomers, 3'-O,4'-C-methyleneribonucleosides

著者:S. Obika, K. Morio, D. Nanbu, Y. Hari, H. Itoh and T. Imanishi43

掲載誌:Tetrahedron

 

■Synthesis of 1-(5,6-dihydro-2H-thiopyran-2-yl) uracil by a Pummerer-type thioglycosylation reaction: the regioselectivity of allylic substitution

著者:Yuichi Yoshimura, Yoshiko Yamazaki, Yukako Saito and Hiroki Takahata

掲載誌:Tetrahedron

発行年:2009

掲載号:65

ページ:9091-9102100

 

■Synthetic studies of carzinophilin. Part 1: Systhesis of 2-methylidene-1-azabicyclo[3.1.0]hexane systems related to carzinophilinq

著者:Masaru Hashimoto, Miyoko Matsumoto and Shiro Terashima

掲載誌:Tetrahedron

発行年:2003

掲載号:59

ページ:3019-304061

 

■Synthetic studies of carzinophilin. Part 2: Systhesis of 3,4-dibenzyloxy-2-methylidene-1-azabicyclo[3.1.0]hexane systems corresponding to the C1-C17 fragment of carzinophilin

著者:Masaru Hashimoto, Miyoko Matsumoto and Shiro Terashima

掲載誌:Terrahedron

発行年:2003

掲載号:59

ページ:3041-306262

Tetrahedron Letters

■Total Synthesis of Lycoperdic Acid and Its C4-epimer

著者:Kenji Morokuma, Raku Irie, Masato Oikawa

掲載誌:Tetrahedron Letters

発行年:2019

掲載号:Vol. 60

ページ:2067-2069160

 

■Pummerer rearrangement of 1-deoxy-5-thioglucopyranose oxides; novel synthesis of 5-thioglucopyranose derivatives

著者:Hiroko Matsuda, Junji Fujita, Yasuharu Morii, Masaru Hashimoto, Toshikatsu Okuno and Kimiko Hashimoto

掲載誌:Tetrahedron Letters

発行年:2003

掲載号:Vol. 44

ページ:4089-409385

 

■Structural revision of peribysins C and D

著者:Hiroyuki Koshino, Hiroko Satoh, Takeshi Yamada and Yasuaki Esumi

掲載誌:Tetrahedron Letters

発行年:2006

掲載号:Vol. 47

ページ:4623-462681

 

■[1,3] Sigmatropic rearrangement of ketene silyl acetals derived from benzyl α-substituted propanoates

著者:Isamu Shiina and Hiroshi Nagasue

掲載誌:Tetrahedron Letters

発行年:2002

掲載号:Vol. 43

ページ:5837-584074

 

■Reactition modes of oxidative dimerization of epoxycyclohexenols

著者:Mitsuru Shoji, Satoshi Kishida, Yusuke Kodera, Isamu Shiina, Hideaki Kakeya, Hiroyuki Osada, and Yujiro Hayashi

掲載誌:Tetrahedron Letters

発行年:2003

掲載号:Vol. 44

ページ:7205-720775

 

Wako Infomatic World

■有機合成反応の開発研究と分子モデリング ~実験の飛躍的な効率化と理論武装強化のために~

著者:中村 正治

掲載誌:Wako Infomatic World

発行年:2007

掲載号:No.2

ページ:2-5135

 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 

 

■計算化学のすすめ 第1回 計算化学とは?

著者:リントゥルオト 正美

掲載誌:Wako Infomatic World

発行年:2007

掲載号:No.3

ページ:2-3136

 

■計算化学のすすめ 第2回 基底関数系とは?

著者:リントゥルオト 正美

掲載誌:Wako Infomatic World

発行年:2007

掲載号:No.4

ページ:2-3137

 

■計算化学のすすめ 第3回 構造最適化と振動解析

著者:リントゥルオト 正美

掲載誌:Wako Infomatic World

発行年:2007

掲載号:No.5

ページ:2-3138

 

■計算化学のすすめ 第4回 一点計算によってわかること

著者:リントゥルオト 正美

掲載誌:Wako Infomatic World

発行年:2007

掲載号:No.6

ページ:2-4139

 

■計算化学のすすめ 第5回 フロンティア軌道を用いた反応予測

著者:リントゥルオト 正美

掲載誌:Wako Infomatic World

発行年:2007

掲載号:No.7

ページ:2-3140

 

■計算化学のすすめ 第6回 反応機構の探索

著者:リントゥルオト 正美

掲載誌:Wako Infomatic World

発行年:2008

掲載号:No.8

ページ:2-3141

 

■計算化学のすすめ 第7回 スペクトルの計算

著者:リントゥルオト 正美

掲載誌:Wako Infomatic World

発行年:2008

掲載号:No.9

ページ:2-3142

 

■計算化学のすすめ 第8回 最近の計算化学

著者:リントゥルオト 正美

掲載誌:Wako Infomatic World

発行年:2008

掲載号:No.10

ページ:2-3143

 

■分子モデリングソフトウェア"Spartan"を活用した化学教育
 ~一年次の化学実験でComputer Chemistryを教えること~

著者:松下 慶寿、原 典行

掲載誌:Wako Infomatic World

発行年:2008

掲載号:No.11

ページ:2-7144

 

■分子モデリングソフトウェア"Spartan"を活用した化学教育
 ~徳島大学薬学部ニ年次の物理化学実習の紹介~

著者:吉田 達貞、中馬 寛

掲載誌:Wako Infomatic World

発行年:2008

掲載号:No.13

ページ:9-11145

 

■大学初期教育での分子モデリングの利用
~「コンピューターからフラスコまで」を目標とした計算機実験授業~

著者:長尾 憲治

掲載誌:Wako Infomatic World

発行年:2009

掲載号:No.18

ページ:2-8146

 

■分子モデリングを授業に導入するコツ
(1)東邦大学理学部化学科における導入例

著者:幅田 揚一

掲載誌:Wako Infomatic World

発行年:2009

掲載号:No.19

ページ:8-10147

 

■分子モデリングを授業に導入するコツ
(2)静電ポテンシャルマップの利用

著者:幅田 揚一

掲載誌:Wako Infomatic World

発行年:2010

掲載号:No.20

ページ:8-10149

 

■はじめての分子化学計算
実験化学者や実験生化学者がコンピュータで有機分子や生体分子をつくり計算する

著者:直島 好伸

掲載誌:Wako Infomatic World

発行年:2010

掲載号:No.20

ページ:2-7148

 

■分子現象を密度汎関数(DFT)法で解析する(1)
ニトログリセリンはなぜ爆発するか?

著者:柳田 祥三、内田 典孝

掲載誌:Wako Infomatic World

発行年:2011

掲載号:No.22

ページ:6-8150

 

■分子現象を密度汎関数(DFT)法で解析する(2)
水素分子と酸素分子はなぜreactiveになるのか?

著者:柳田 祥三、内田 典孝

掲載誌:Wako Infomatic World

発行年:2011

掲載号:No.24

ページ:6-8151

 

■分子現象を密度汎関数(DFT)法で解析する(3)
ポリエチレングリコールと金属イオン相互作用

著者:柳田 祥三、内田 典孝

掲載誌:Wako Infomatic World

発行年:2011

掲載号:No.25

ページ:9-11152

 

■分子現象を密度汎関数(DFT)法で解析する(4)
アルキル鎖会合とベンゼン多分子会合

著者:柳田 祥三、内田 典孝

掲載誌:Wako Infomatic World

発行年:2011

掲載号:No.26

ページ:5-7153

 

Wavefunction User Letter

■Spartanによる紫外可視光吸収スペクトルの予測

著者:川内進

掲載誌:Wavefunction User Letter

発行年:2011

掲載号:No.1

ページ:1-4 PDF(1.1MB)

 

■見えない化学から 見える・イメージできる化学へ
-ODYSSEYとSpartanを用いた高専における教育実践-

著者:河合孝恵

掲載誌:Wavefunction User Letter

発行年:2011

掲載号:No.2

ページ:1-4 PDF(1.1MB)

 

■Spartanを用いた学生実験教育
「コンピュータケミストリー入門」

著者:八尾浩史

掲載誌:Wavefunction User Letter

発行年:2013

掲載号:No.3

ページ:1-4 PDF(1.5MB)

 

■Spartanの化学シフト計算による
天然物構造決定

著者:橋本勝

掲載誌:Wavefunction User Letter

発行年:2013

掲載号:No.4

ページ:1-4 PDF(2.4MB)

 

■中学生への先進的科学教育における
計算化学の可能性

著者:大橋 淳史

掲載誌:Wavefunction User Letter

発行年:2015

掲載号:No.5

ページ:1-4 PDF(0.7MB)

 

■Spartan'16を利用した
天然物の構造決定

著者:橋本勝

掲載誌:Wavefunction User Letter

発行年:2017

掲載号:No.6

ページ:1-8 PDF(1.2MB)

 

■計算化学を活用した材料開発支援
-地方公設試における地元企業振興に向けた取り組み-

著者:森 一

掲載誌:Wavefunction User Letter

発行年:2018

掲載号:No.7

ページ:1-4 PDF(1.5MB)

 

■高等学校課題研究における
計算化学利用の可能性について

著者:中嶌 健司

掲載誌:Wavefunction User Letter

発行年:2019

掲載号:No.8

ページ:1-4 PDF(0.5MB)

 

応用物理教育 < Japanese Journal of Applied Phisics Education

■Visualization of Si Single Crystal Chemical Bonding

著者:M. Nakamura and Katsuro Sugawara

掲載誌:応用物理教育
Japanese Journal of Applied Physics Education

発行年:2001

掲載号:Vol. 24, No. 2

ページ:9-1237

 

■シリコン単結晶結合状態の可視化

著者:中村征幸、菅原活郎

掲載誌:応用物理教育
Japanese Journal of Applied Physics Education

発行年:2001

掲載号:第25巻2号 

ページ:9-1258

 

■半導体単結晶結合状態の可視化
Visualization of Semiconductor Single Crystal Chemical Bonding

著者:岡崎理子、菅原活郎

掲載誌:応用物理教育
Japanese Journal of Applied Physics Education

発行年:2002

掲載号:第26巻1号

ページ:25-2852

 

■有機磁性体スピン密度分布の可視化
Visualization of Spin Density Distribution in Organic Magnetic Materials

著者:羽賀光昭、菅原活郎、移川欣男、岩村秀

掲載誌:応用物理教育
Japanese Journal of Applied Physics Education

発行年:2002

掲載号:第26巻2号

ページ:13-1653

 

化学と教育 < Chemistry & Education

■高等学校のための分子モデリングデータベース(私のくふう)

著者:幅田揚一

掲載誌:化学と教育

発行年:2007

掲載号:Vol.55, No.1

ページ:42-4383

 

機能材料

■環境対応マイクロ波熱触媒プロセスの密度汎関数理論解析

著者:柳田祥三

掲載誌:機能材料

発行年:2017

掲載号:5月号Vol.37 No.5

ページ:33-41134

 

高分子論文集 < Kobunshi Ronbunshu

■β-ラクタム系薬とβ-シクロデキストリン類の水溶液中包接複合体構造に及ぼすpHの影響)

著者:湯川美穂

掲載誌:高分子論文集

発行年:2010

掲載号:Vol.67, No.3

ページ:192-197102

 

スーパーサイエンスハイスクール 理数探求

■計算科学による炭素の安定構造の模索

著者:大倉 豪留

掲載誌:スーパーサイエンスハイスクール 理数探求

発行年:2016

ページ:21-25127

生産と技術

■人生100年時代とミトコンドリアの活性化:
~密度汎関数理論に基づく検証~

著者:柳田 祥三

掲載誌:生産と技術

発行年:2017

掲載号:第69巻第3号

ページ:32-43132

 

繊維学会誌

■身近になった量子化学計算
"Quantum chemical calculation is now easy to use "

著者:川内進

掲載誌:繊維学会誌

発行年:2007

掲載号:Vol.63 No. 3

ページ:67-7089

塗料の研究

■分子軌道法による 各種架橋結合の耐酸性予測
"Prediction of Acid Resistance in the Several Crosslinking Systems by Molecular Orbital Method "

著者:岡本好広、長野千尋

掲載誌:塗料の研究

発行年:2000

掲載号:134号

ページ:8-1380

 

有機合成化学協会誌

■光学活性コバルト錯体を触媒とする不斉シクロプロパン化反応と反応機構解析に基づく触媒設計
" Enantioselective Cyclopropanation Reaction Catalyzed by Optically Active Cobalt(II) Complexes and the Catayst Design based on Theoretical Analysis "

著者:池野健人、佐藤光央、岩倉いずみ、小倉あい、永田卓司、山田徹

掲載誌:有機合成化学協会誌

発行年:2008

掲載号:Vol.66 No. 2

ページ:110-12392

 

理研シンポジウム物質構造解析2014:MSとNMRの基礎と実践

■計算機支援による天然物の構造決定

講演者:橋本勝

掲載誌:講演要旨集

発行年:2014

掲載号:-

ページ:14-1712

 

量子化学研究協会・研究所誌「量子の世界」

■分子会合系の電子密度エネルギー構造とマイクロ波熱触媒効果

著者:柳田 祥三

掲載誌:量子の世界

発行年:2017

掲載号:春号No.5

ページ:1-6130

 
 
 
 
 
 
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