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H

Hiroshi Nakatsuji

japan science & technology agency (jst)

35H指数
138论文数
3.3K被引数
收录论文 23
发表时间
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Electronic Transitions in Conformationally Controlled Tetrasilanes with a Wide Range of SiSiSiSi Dihedral Angles (vol 20 , pg 9431, 2014)
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2015-01-20
err3
PREAI
errTsuji, H.; Fogarty, H. A.; Ehara, M.; Fukuda, R.; Casher, D. L.; Tamao, K.; Nakatsuji, H.; Michl, J.
err分享
err收藏
Electronic Transitions in Conformationally Controlled Tetrasilanes with a Wide Range of SiSiSiSi Dihedral Angles
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2014-07-14
err13
PREAI
errTsuji, Hayato; Fogarty, Heather A.; Ehara, Masahiro; Fukuda, Ryoichi; Casher, Deborah L.; Tamao, Kohei; Nakatsuji, Hiroshi; Michl, Josef
err分享
err收藏
Excited states and electronic spectra of extended tetraazaporphyrins
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2010-10-14
err36
PREAI
errFukuda, Ryoichi; Ehara, Masahiro; Nakatsuji, Hiroshi
err分享
err收藏
Electronic transitions in cis- and trans-dichloroethylenes and tetrachloroethylene (vol 129, art no 174506, 2008)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2009-05-29
err0
errOAAI
errArulmozhiraja, Sundaram; Ehara, Masahiro; Nakatsuji, Hiroshi
err分享
err收藏
Red light in chemiluminescence and yellow-green light in bioluminescence:: Color-tuning mechanism of firefly, Photinus pyralis, studied by the symmetry-adapted cluster-configuration interaction method
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2007-06-22
err136
PREAI
errNakatani, Naoki; Hasegawa, Jun-ya; Nakatsuji, Hiroshi
err分享
err收藏
Singly and doubly excited states of butadiene, acrolein, and glyoxal: Geometries and electronic spectra
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2006-07-07
err67
errOAAI
errSaha, Biswajit; Ehara, Masahiro; Nakatsuji, Hiroshi
err分享
err收藏
Theoretical study on metal NMR chemical shifts. Electronic mechanism of the Xe chemical shift
errBULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
IF3.8
err2006-06-21
err20
PREAI
errTanaka, S; Sugimoto, M; Takashima, H; Hada, M; Nakatsuji, H
err分享
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On the O2 binding of Fe-porphyrin, Fe-porphycene, and Fe-corrphycene complexes
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2006-06-20
err24
errOAAI
errNakashima, Hiroyuki; Hasegawa, Jun-Ya; Nakatsuji, Hiroshi
err分享
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Electronic spectra and photodissociation of vinyl chloride: A symmetry-adapted cluster configuration interaction study
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2006-01-20
err11
PREAI
errArulmozhiraja, S; Fukuda, R; Ehara, M; Nakatsuji, H
err分享
err收藏
On the reversible O2 binding of the Fe-porphyrin complex
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2006-01-17
err56
PREAI
errNakashima, H; Hasegawa, JY; Nakatsuji, H
err分享
err收藏
Theoretical surface spectroscopy of NO on the Pt(111) surface with the DAM (dipped adcluster model) and the SAC-Cl (symmetry-adapted-cluster configuration-interaction) method
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2005-01-29
err8
PREAI
errNakatsuji, H; Matsumune, N; Kuramoto, K
err分享
err收藏
Experimental study and ab initio molecular orbital calculation on the photolysis of n-butyrophenone included within the alkali metal cation-exchanged ZSM-5 zeolite碱金属阳离子交换ZSM-5沸石中n-丁苯酮光解的实验研究和从头算分子轨道计算
errJOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
IF4.7
err2003-08-01
err9
PREAI
errYamashita, H; Takada, S; Hada, M; Nakatsuji, H; Anpo, M
err分享
err收藏
Theoretical investigation on the valence ionization spectra of Cl2O, ClOOCl, and F2O by correlation-based configuration interaction methods
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2003-04-01
err18
errOAAI
errTomasello, P; Ehara, M; Nakatsuji, H
err分享
err收藏
Excited and ionized states of aniline: Symmetry adapted cluster configuration interaction theoretical study
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2002-08-01
err56
errOAAI
errHonda, Y; Hada, M; Ehara, M; Nakatsuji, H
err分享
err收藏
Molecular structures and excited states of CPM(CO)2 (Cp = η5-C5H5; M=Rh, Ir) and [Cl2Rh(CO)2]-. Theoretical evidence for a competitive charge transfer mechanism
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-02-20
err20
PREAI
errHu, ZM; Boyd, RJ; Nakatsuji, H
err分享
err收藏
Variational calculations of fermion second-order reduced density matrices by semidefinite programming algorithm
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2001-05-15
err272
errOAAI
errNakata, M; Nakatsuji, H; Ehara, M; Fukuda, M; Nakata, K; Fujisawa, K
err分享
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Relativistic effects and the halogen dependencies in the 13C chemical shifts of CH4-nIn, CH4-nBrn, CCl4-nIn, and CBr4-nIn (n=0-4)CH4-nIn，CH4-nBrn，CCl4-nIn和CBr4-nIn (n = 0-4) 的13C化学位移中的相对论效应和卤素依赖性
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2001-01-01
err35
PREAI
errFukawa, S; Hada, M; Fukuda, R; Tanaka, S; Nakatsuji, H
err分享
err收藏
Electron transfer in the c-type cytochrome subunit of the photosynthetic reaction center of Rhodopseudomonas viridis:: Ab initio theoretical study
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2001-01-01
err8
PREAI
errOhtsuka, Y; Ohkawa, K; Nakatsuji, H
err分享
err收藏
Roles of proteins in the electron transfer in the photosynthetic reaction center of Rhodopseudomonas viridis:: Bacteriopheophytin to ubiquinone蛋白质在绿假单胞菌光合反应中心电子转移中的作用:: 细菌叶绿素到泛醌
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2001-01-01
err15
PREAI
errIto, H; Nakatsuji, H
err分享
err收藏
Direct determination of second-order density matrix using density equation: Open-shell system and excited state
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2000-05-22
err37
errOAAI
errNakata, M; Ehara, M; Yasuda, K; Nakatsuji, H
err分享
err收藏

研究方向

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