内丸忠文 (Tadafumi Uchimaru) - マイポータル - researchmap

基本情報

所属: 独立行政法人産業技術総合研究所ナノシステム研究部門分子シミュレーショングループ

学位: 理学博士

J-GLOBAL ID: 200901010604399398
researchmap会員ID: 0000044753

外部リンク: http://www.aist.go.jp/RESEARCHERDB/cgi-bin/worker_detail.cgi?call=namae&rw_id=T94413528

研究キーワード

4

研究分野

4

経歴

3

学歴

3

MISC

72

Relative reactivity and regioselectivity of halogen-substituted ethenes and propene toward addition of an OH radical or O (P-3) atom: An ab initio study

Ahmed M. El-Nahas, Tadafumi Uchimaru, Masaaki Sugie, Kazuaki Tokuhashi, Akira Sekiya

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 770(1-3) 59-65 2006年9月
A theoretical study on the strength of two-center three-electron bonds in the NO3 radical adducts of reduced sulfur molecules, H2S, CH3SH, CH3SCH3, and CH3SSCH3

T Uchimaru, S Tsuzuki, M Sugie, K Tokuhashi, A Sekiya

CHEMICAL PHYSICS 324(2-3) 465-473 2006年5月
Computational study on the reaction mechanism of the key thermal [4+4] cycloaddition reaction in the biosynthesis of epoxytwinol A

Shiina, I, T Uchimaru, M Shoji, H Kakeya, H Osada, Y Hayashi

ORGANIC LETTERS 8(6) 1041-1044 2006年3月
Estimated MP2 and CCSD(T) interaction energies of n-alkane dimers at the basis set limit: Comparison of the methods of Helgaker et al. and Feller

S Tsuzuki, K Honda, T Uchimaru, M Mikami

JOURNAL OF CHEMICAL PHYSICS 124(11) 114304-1-114304-7 2006年3月
Intermolecular interaction between hexafluorobenzene and benzene: Ab initio calculations including CCSD(T) level electron correlation correction

S Tsuzuki, T Uchimaru, M Mikami

JOURNAL OF PHYSICAL CHEMISTRY A 110(5) 2027-2033 2006年2月
Kinetics of the gas-phase reaction of CF2=CF-CF=CF2 withO(3) and NO3 radicals

L Chen, S Kutsuna, K Tokuhashi, T Uchimaru, A Sekiya

CHEMICAL PHYSICS LETTERS 416(1-3) 187-191 2005年11月
Synthesis and structure of 16 π octaalkyltetraphenylporphyrins

YAMAMOTO Yohsuke, YAMAMOTO Akihiro, FURUTA Shin‐ya, HORIE Masanori, KODAMA Megumi, SATO Wataru, AKIBA Kin‐ya, TSUZUKI Seiji, UCHIMARU Tadafumi, HASHIZUME Daisuke …

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127(42) 14540-14541 2005年10月
The direct, enantioselective, one-pot, three-component, Cross-Mannich reaction of aldehydes: The reason for the higher reactivity of aldimine versus aldehyde in proline-mediated Mannich and aldol reactions

Y Hayashi, T Urushima, M Shoji, T Uchimaru, Shiina, I

ADVANCED SYNTHESIS & CATALYSIS 347(11-13) 1595-1604 2005年10月
Henry’s law constants of 2,2,2-trifluoroethyl formate, ethyl trifluoroacetate, and non-fluorinated analogous esters

KUTSUNA Shuzo, CHEN Liang, ABE Takashi, MIZUKADO Junji, UCHIMARU Tadafumi, TOKUHASHI Kazuaki, SEKIYA Akira

ATMOSPHERIC ENVIRONMENT 39(32) 5884-5892 2005年10月
Lewis acidity/basicity of pi-electron systems: theoretical study of a molecular interaction between a pi system and a Lewis acid/base

S Kawahara, S Tsuzuki, T Uchimaru

CHEMISTRY-A EUROPEAN JOURNAL 11(15) 4458-4464 2005年7月
A theoretical study on the strength of two-center three-electron bond in (CH3)(2)S-OH and H2S-OH adducts

T Uchimaru, S Tsuzuki, M Sugie, K Tokuhashi, A Sekiya

CHEMICAL PHYSICS LETTERS 408(4-6) 216-220 2005年6月
Hydrogen abstraction from dimethyl ether (DME) and dimethyl sulfide (DMS) by OH radical: a computational study

AM El-Nahas, T Uchimaru, M Sugie, K Tokuhashi, A Sekiya

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 722(1-3) 9-19 2005年5月
Ab initio calculations of structures and interaction energies of toluene dimers including CCSD(T) level electron correlation correction

S Tsuzuki, K Honda, T Uchimaru, M Mikami

JOURNAL OF CHEMICAL PHYSICS 122(14) 144323-1-144323-8 2005年4月
Magnitude and orientation dependence of intermolecular interaction of perfluoropropane dimer studied by high-level ab initio calculations: Comparison with propane dimer

S Tsuzuki, T Uchimaru, M Mikami, S Urata

JOURNAL OF CHEMICAL PHYSICS 121(20) 9917-9924 2004年11月
Magnitude of interaction between n-alkane chains and its anisotropy: High-level ab initio calculations of n-butane, n-petane, and n-hexane dimers

S Tsuzuki, K Honda, T Uchimaru, M Mikami

JOURNAL OF PHYSICAL CHEMISTRY A 108(46) 10311-10316 2004年11月
Environmental assessment of CFC alternatives - Rate constants for the reactions of OH radicals with fluorinated compounds

K Tokuhashi, L Chen, S Kutsuna, T Uchimaru, M Sugie, A Sekiya

JOURNAL OF FLUORINE CHEMISTRY 125(11) 1801-1807 2004年11月
Ab initio study of the hydrolysis of carbonyl difluoride (CF2O): importance of an additional water molecule

T Uchimaru, S Tsuzuki, M Sugie, K Tokuhashi, A Sekiya

CHEMICAL PHYSICS LETTERS 396(1-3) 110-116 2004年9月
Theoretical study of the C-F/pi interaction: Attractive interaction between fluorinated alkane and an electron-dericient pi-system

S Kawahara, S Tsuzuki, T Uchimaru

JOURNAL OF PHYSICAL CHEMISTRY A 108(32) 6744-6749 2004年8月
Ab initio conformational analysis of fluoromethyl formate and difluoromethyl formate

T Uchimaru, S Tsuzuki, M Sugie, A Sekiya

CHEMICAL PHYSICS 299(1) 25-32 2004年3月
Analysis of the intermolecular interactions between CH3OCH3, CF3OCH3, CF3OCF3, and CH2F2, CHF3

S Urata, S Tsuzuki, A Takada, M Mikami, T Uchimaru, A Sekiya

JOURNAL OF COMPUTATIONAL CHEMISTRY 25(3) 447-459 2004年2月

もっとみる

所属学協会

7

共同研究・競争的資金等の研究課題

2