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松井亨

Matsui, Toru

数理物質系 , 准教授
Faculty of Pure and Applied Sciences , Associate Professor

https://sites.google.com/site/tallmatsui/home

オープンアクセス版の論文は「つくばリポジトリ」で読むことができます。

41. Approximate spin projection for geometry optimization of biradical systems : Case studies of through-space and through-bond systems N. Yasuda; Y. Kitagawa; H. Hatake; T. Saito (+5 著者) K. Yamaguchi
Progress in Theoretical Chemistry and Physics 26: 345 (2012)
42. Temperature-Independent Stereoselectivity in Intramolecular Cycloaddition of Ketene Generated from Diazoester in Solution and in Vapor Phase: How Entropy Term Governs the Selectivity Takashi Sugimura; Eigo Mitani; Takahiro Tei; Tadashi Okuyama (+2 著者) Yasuteru Shigeta
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 85: 504 (2012) Semantic Scholar
43. Theoretical Insight into Stereoselective Reaction Mechanisms of 2,4-Pentanediol-Tethered Ketene-Olefin [2+2] Cycloaddition Katsumasa Kamiya; Toru Matsui; Takashi Sugimura; Yasuteru Shigeta
JOURNAL OF PHYSICAL CHEMISTRY A 116: 1168 (2012) Semantic Scholar
44. An accurate density functional theory based estimation of pK(a) values of polar residues combined with experimental data: from amino acids to minimal proteins Toru Matsui; Takeshi Baba; Katsumasa Kamiya; Yasuteru Shigeta
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 14: 4181 (2012) Semantic Scholar
45. Theoretical Studies on Metal-Containing Artificial DNA Bases Toru Matsui; Hideaki Miyachi; Yasuteru Shigeta
ADVANCES IN THE THEORY OF QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS 22: 433 (2012) Semantic Scholar
46. Theoretical Study on Reaction Scheme of Silver(I) Containing 5-Substituted Uracils Bridge Formation Toru Matsui; Hideaki Miyachi; Takeshi Baba; Yasuteru Shigeta
JOURNAL OF PHYSICAL CHEMISTRY A 115: 8504 (2011) Semantic Scholar
47. Molecular dynamics studies on the mutational structures of a nylon-6 byproduct-degrading enzyme Takeshi Baba; Katsumasa Kamiya; Toru Matsui; Naoki Shibata (+3 著者) Yasuteru Shigeta
CHEMICAL PHYSICS LETTERS 507: 157 (2011) Semantic Scholar
48. Electron Conductivity in Modified Models of Artificial Metal-DNA Using Green's Function-Based Elastic Scattering Theory Yasuyuki Nakanishi; Toru Matsui; Yasutaka Kitagawa; Yasuteru Shigeta (+4 著者) Kizashi Yamaguchi
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 84: 366 (2011) Semantic Scholar
49. A Simple scheme for estimating the pK(a) values of 5-substituted uracils Toru Matsui; Atsushi Oshiyama; Yasuteru Shigeta
CHEMICAL PHYSICS LETTERS 502: 248 (2011) Semantic Scholar
50. 3N0912 Experimental and computational studies on mutational effects on nylon-6 byproducts-degrading enzyme(Protein : Measurement & Analysis, Origin of life & Evolution,The 49th Annual Meeting of the Biophysical Society of Japan) Takeshi Baba; Katsumasa Kamiya; Toru Matsui; Naoki Shibata (+2 著者) Yasuteru Shigeta
Seibutsu Butsuri 51: S154 (2011)
51. Theoretical Study on the Electronic Configurations and Nature of Chemical Bonds of Dirhodium Tetraacetato Complexes [Rh-2(CH3COO)(4)(L)(2)] (L = H2O, Free): Broken Symmetry Approach Yusuke Kataoka; Yasutaka Kitagawa; Toru Saito; Yasuyuki Nakanishi (+6 著者) Kizashi Yamaguchi
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 83: 1481 (2010) Semantic Scholar
52. Sequence-Dependent Proton-Transfer Reaction in Stacked GC Pair III: The Influence of Proton Transfer to Conductivity Yasuyuki Nakanishi; Toru Matsui; Yasuteru Shigeta; Yasutaka Kitagawa (+4 著者) Kizashi Yamaguchi
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 110: 2221 (2010) Semantic Scholar
53. Theoretical studies of the effect of orientation of ligands and spin contamination error on the chemical bonding in the FeO2 core in oxymyoglobin Toru Saito; Yusuke Kataoka; Yasuyuki Nakanishi; Toru Matsui (+3 著者) Kizashi Yamaguchi
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 954: 98 (2010) Semantic Scholar
54. Possibility of multi-conformational structure of mismatch DNA nucleobase in the presence of silver(I) ions Hideaki Miyachi; Toru Matsui; Yasuteru Shigeta; Koichi YamashitaKimihiko Hirao
CHEMICAL PHYSICS LETTERS 495: 125 (2010) Semantic Scholar
55. Which hybrid GGA DFT is suitable for Cu2O2 systems if the spin contamination error is removed? Toru Saito; Yusuke Kataoka; Yasuyuki Nakanishi; Toru Matsui (+3 著者) Kizashi Yamaguchi
CHEMICAL PHYSICS 368: 1 (2010) Semantic Scholar
56. Effects of mercury(II) on structural properties, electronic structure and UV absorption spectra of a duplex containing thymine-mercury(II)-thymine nucleobase pairs Hideaki Miyachi; Toru Matsui; Yasuteru Shigeta; Kimihiko Hirao
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 12: 909 (2010) Semantic Scholar
57. Development of Approximately Spin Projected Energy Derivatives for Biradical Systems Kitagawa Y; Saito T; Nakanishi Y; Kataoka Y (+3 著者) Yamaguchis K
International Journal of Quantum Chemistry 110: 3053 (2010)
58. Theoretical Studies on Chemical Bonding Between Cu(II) and Oxygen Molecule in Type 3 Copper Proteins Toru Saito; Yusuke Kataoka; Yasuyuki Nakanishi; Toru Matsui (+3 著者) Kizashi Yamaguchi
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 109: 3649 (2009) Semantic Scholar
59. Estimation of Effective Exchange Integral Value of Polyradical Systems Based on the Band Calculation Yasuyuki Nakanishi; Yasutaka Kitagawa; Toru Saito; Yusuke Kataoka (+3 著者) Kizashi Yamaguchi
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 109: 3632 (2009) Semantic Scholar
60. Spin Contamination Error in Optimized Geometry of Singlet Carbene ((1)A(1)) by Broken-Symmetry Method Yasutaka Kitagawa; Toru Saito; Yasuyuki Nakanishi; Yusuke Kataoka (+3 著者) Kizashi Yamaguchi
JOURNAL OF PHYSICAL CHEMISTRY A 113: 15041 (2009)

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書籍等出版物情報はまだありません。

1. カルボン酸塩・ナフタルイミド化合物の光誘起過程の理論的解析大高, 秀仁; 大塚, 教雄; 隅田, 真人; 井澤, 浩則; 松井, 亨; 守橋, 健二
日本化学会第９８回春季年会(2018)
2. 銀イオン錯体内における金属-金属結合の密度汎関数理論による解析添田, 皓輝; 松井亨; 守橋, 健二
第31回分子シミュレーション討論会
3. カルボン酸塩・ナフタルイミド化合物錯体の光誘起過程の理論的解析大高, 秀仁; 大塚, 教雄; 隅田, 真人; 井澤, 浩則; 松井亨; 守橋, 健二
第31回分子シミュレーション討論会
4. 有機薄膜太陽電池材料の電荷移動状態の安定性と反応速度定数についての理論的研究藤田, 健宏; 松井, 亨; 守橋, 健二
第7回CSJ化学フェスタ2017 船堀
5. 有機薄膜太陽電池材料の電荷移動状態の安定性と反応速度定数についての理論的研究藤田, 健宏; 松井, 亨; 守橋, 健二
第11回分子科学討論会 (仙台)
6. 分子動力学法によるクエン酸のプロトン化状態の解析松井,亨
日本化学会第９８回春季年会(2018)
7. 分子動力学法によるクエン酸のプロトン化状態の解析田中良拓; 松井亨; 守橋, 健二
第12回分子科学討論会
8. Theoretical analysis of hydrogen bond between anthracene-urea derivative and acetate anion ONOZAWA, Shu; MORIHASHI, Kenji; MATSUI, Toru
日本化学会第99回春季年会
9. Determination of the range separation parameter in LC-ω PBE using machine learning OSAKI, Yamato; FUJITA, Takehiro; MATSUI, Toru; SUMITA, Masato; MORIHASHI, Kenji
日本化学会第99回春季年会
10. 1-メチル-3-(N-(1,8-ナフタルイミジル)エチル)イミダゾリウム塩の発光・呈色推定モデル田中良拓; 松井亨; 守橋, 健二
第12回分子科学討論会
11. 1-メチル-3-(N-(1,8-ナフタルイミジル)エチル)イミダゾリウム塩の発光・呈色推定モデル田中良拓; 松井亨; 守橋, 健二
第12回分子科学討論会
12. Analysis of metal-metal bonds in Ag(I) complex by density functional theory Matsui,Toru
The 43rd International Conference on Coordination Chemistry
13. キメラ塩基配列d(TTA)r(GGG)d(T)の四重鎖とヘムの複合体山本, 泰彦; 柴田友和; 早坂公佑; 松井亨; 逸見光; 石塚匠; 徐岩
第20回 RNA学会年会 (RNA2018 OSAKA)
14. Characterization of G-quadruplex formed from Chimeric Sequence d(TTA)r(GGG)d(T) and its Complex with Heme 山本, 泰彦; Hayasaka, Kosuke; Shibata, Tomokazu; Matsui, Toru; Hemmi, Hikaru; Ishizuka, Takumi; Xu, Yan
Tsukuba Global Science Week 2018 (TGSW2018)
15. アントラセン-ウレア誘導体と酢酸イオンとの水素結合の理論的解析小野澤, 周; 松井, 亨; 西村, 賢宣; 守橋健二
第13回分子科学討論会
16. 芳香族ウレア誘導体の励起状態分子間プロトン移動と pKaとの相関小野澤, 周; 松井, 亨; 西村, 賢宣; 守橋健二
日本化学会第100春季年会
17. 長距離補正密度汎関数における領域分離パラメータの簡便な決定方法尾﨑大和; 藤田健宏; 松井, 亨; 隅田真人; 寺山慧; 守橋健二
日本コンピュータ化学会2019秋季年会
18. 機械学習による溶媒和モデルの半経験的改善法登坂, 夏名; 尾﨑大和; 松井, 亨; 守橋健二
日本化学会第100春季年会
19. 四重鎖DNAとフタロシアニン誘導体の複合体山本, 泰彦; 内山真見; 柴田友和; 百武篤也; 池上崇久; 松井亨
日本化学会第100春季年会 (2020)
20. 酸化還元電位算出における誤差の機械学習を用いた要因解析金丸雄基; 松井, 亨
日本化学会第102春季年会