Energy density analysis (EDA) of cis, trans-enol isomerization in malonaldehyde, tropolone and 9-hydroxyphenalenoneNAKAI, Hiromi; SODEYAMA, Keitaro.Chemical physics letters. 2002, Vol 365, Num 3-4, pp 203-210, issn 0009-2614, 8 p.Article

How does it become possible to treat delocalized and/or open-shell systems in fragmentation-based linear-scaling electronic structure calculations? The case of the divide-and-conquer methodKOBAYASHI, Masato; NAKAI, Hiromi.PCCP. Physical chemistry chemical physics (Print). 2012, Vol 14, Num 21, pp 7629-7639, issn 1463-9076, 11 p.Article

Energy density analysis of internal methyl rotations in halogenated toluenesKAWAMURA, Yoshiumi; NAKAI, Hiromi.Chemical physics letters. 2003, Vol 368, Num 5-6, pp 673-679, issn 0009-2614, 7 p.Article

Non-Born-Oppenheimer theory for simultaneous determination of vibrational and electronic excited states : ab initio NO+MO/CIS theoryNAKAI, Hiromi; SODEYAMA, Keitaro; HOSHINO, Minoru et al.Chemical physics letters. 2001, Vol 345, Num 1-2, pp 118-124, issn 0009-2614Article

Platinum and Ruthenium Chloride-Catalyzed Cycloisomerization of 1-Alkyl-2-ethynylbenzenes: Interception of π-Activated Alkynes with a Benzylic C-H BondTOBISU, Mamoru; NAKAI, Hiromi; CHATANI, Naoto et al.Journal of organic chemistry. 2009, Vol 74, Num 15, pp 5471-5475, issn 0022-3263, 5 p.Article

Novel Approach to Excited-State Calculations of Large Molecules Based on Divide-and-Conquer Method: Application to Photoactive Yellow ProteinYOSHIKAWA, Takeshi; KOBAYASHI, Masato; FUJII, Atsuhiko et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 18, pp 5565-5573, issn 1520-6106, 9 p.Article

A unified approach to the analysis of the chemical bond in hydrides and hydrocarbonsSHINZATO, Yoshifumi; YUKAWA, Hiroshi; MORINAGA, Masahiko et al.Acta materialia. 2007, Vol 55, Num 20, pp 6673-6680, issn 1359-6454, 8 p.Article

Energy density analysis of the chemical bond between atoms in perovskite-type hydridesSHINZATO, Yoshifumi; YUKAWA, Hiroshi; MORINAGA, Masahiko et al.Journal of alloys and compounds. 2007, Vol 446-47, pp 96-100, issn 0925-8388, 5 p.Conference Paper

Identification of an alternative splicing transcript for the resistin gene and distribution of its mRNA in human tissueNOHIRA, Tomoyoshi; NAGAO, Kumi; KAMEYAMA, Kazuhisa et al.European journal of endocrinology. 2004, Vol 151, Num 1, pp 151-154, issn 0804-4643, 4 p.Article

Characterization of strained Si wafer surface by density functional theory analysisSAKATA, Kaoruho; HOMMA, Takayuki; NAKAI, Hiromi et al.Electrochimica acta. 2005, Vol 51, Num 5, pp 1000-1003, issn 0013-4686, 4 p.Conference Paper

Reactions of protonated water clusters H⁺(H₂O)_n (n = 1-6) with dimethylsulfoxide in a guided ion beam apparatusKAWAI, Yoko; YAMAGUCHI, Satoru; OKADA, Yoshiki et al.Chemical physics letters. 2003, Vol 377, Num 1-2, pp 69-73, issn 0009-2614, 5 p.Article

Cristaxenicin A, an Antiprotozoal Xenicane Diterpenoid from the Deep Sea Gorgonian Acanthoprimnoa cristataISHIGAMI, Shin-Taro; GOTO, Yasuyuki; INOUE, Noboru et al.Journal of organic chemistry. 2012, Vol 77, Num 23, pp 10962-10966, issn 0022-3263, 5 p.Article

Matrix metalloproteinase-26 is expressed in human endometrium but not in endometrial carcinomaISAKA, Keiichi; NISHI, Hirotaka; NAKAI, Hiromi et al.Cancer. 2003, Vol 97, Num 1, pp 79-89, issn 0008-543X, 11 p.Article

Molecular orbital study on the reaction process of dimethylamine borane as a reductant for electroless depositionHOMMA, Takayuki; TAMAKI, Amiko; NAKAI, Hiromi et al.Journal of electroanalytical chemistry (1992). 2003, Vol 559, pp 131-136, issn 1572-6657, 6 p.Conference Paper