Current Rectification through π―π Stacking in Multilayered Donor― Acceptor CyclophanesTSUJI, Yuta; YOSHIZAWA, Kazunari.Journal of physical chemistry. C. 2012, Vol 116, Num 50, pp 26625-26635, issn 1932-7447, 11 p.Article

A theoretical study of spin-orbit coupling in an Fe(II) spin-crossover complex. Mechanism of the LIESST effectKONDO, Masakazu; YOSHIZAWA, Kazunari.Chemical physics letters. 2003, Vol 372, Num 3-4, pp 519-523, issn 0009-2614, 5 p.Article

A theoretical study on the mechanism of camphor hydroxylation by compound I of cytochrome P450KAMACHI, Takashi; YOSHIZAWA, Kazunari.Journal of the American Chemical Society. 2003, Vol 125, Num 15, pp 4652-4661, issn 0002-7863, 10 p.Article

Conversion of methane to methanol at the mononuclear and dinuclear copper sites of particulate methane monooxygenase (pMMO) : A DFT and QM/MM studyYOSHIZAWA, Kazunari; SHIOTA, Yoshihito.Journal of the American Chemical Society. 2006, Vol 128, Num 30, pp 9873-9881, issn 0002-7863, 9 p.Article

Water-assisted oxo mechanism for heme metabolismKAMACHI, Takashi; YOSHIZAWA, Kazunari.Journal of the American Chemical Society. 2005, Vol 127, Num 30, pp 10686-10692, issn 0002-7863, 7 p.Article

Participation of multioxidants in the pH dependence of the reactivity of ferrate(VI)KAMACHI, Takashi; KOUNO, Tomohisa; YOSHIZAWA, Kazunari et al.Journal of organic chemistry. 2005, Vol 70, Num 11, pp 4380-4388, issn 0022-3263, 9 p.Article

Catalytic roles of active-site amino acid residues of coenzyme B₁₂-Dependent diol dehydratase: Protonation state of histidine and pull effect of glutamateKAMACHI, Takashi; TORAYA, Tetsuo; YOSHIZAWA, Kazunari et al.Journal of the American Chemical Society. 2004, Vol 126, Num 49, pp 16207-16216, issn 0002-7863, 10 p.Article

Superconductivity in acenesKATO, Takashi; KONDO, Masakazu; YOSHIZAWA, Kazunari et al.Synthetic metals. 2002, Vol 126, Num 1, pp 75-80, issn 0379-6779Article

How heme metabolism occurs in heme oxygenase: computational study of oxygen-donation ability of the oxo and hydroperoxo speciesKAMACHI, Takashi; SHESTAKOV, Alexander F; YOSHIZAWA, Kazunari et al.Journal of the American Chemical Society. 2004, Vol 126, Num 12, pp 3672-3673, issn 0002-7863, 2 p.Article

Crystal orbital overlap population analysis of the capacity fading of metal-substituted spinel lithium manganate LiMn₂O₄HASEGAWA, Akira; YOSHIZAWA, Kazunari; YAMABE, Tokio et al.Journal of the Electrochemical Society. 2000, Vol 147, Num 11, pp 4052-4057, issn 0013-4651Article

Orbital Determining Spintronic Properties of a π-Conjugated SystemTSUJI, Yuta; STAYKOV, Aleksandar; YOSHIZAWA, Kazunari et al.Journal of physical chemistry. C. 2012, Vol 116, Num 30, pp 16325-16332, issn 1932-7447, 8 p.Article

Oxygen Activation on Nanometer-Size Gold NanoparticlesSTAYKOV, Aleksandar; NISHIMI, Tomonori; YOSHIZAWA, Kazunari et al.Journal of physical chemistry. C. 2012, Vol 116, Num 30, pp 15992-16000, issn 1932-7447, 9 p.Article

A theoretical study of reactivity and regioselectivity in the hydroxylation of adamantane by ferrate(VI)SHIOTA, Yoshihito; KIHARA, Naoki; KAMACHI, Takashi et al.Journal of organic chemistry. 2003, Vol 68, Num 10, pp 3958-3965, issn 0022-3263, 8 p.Article

Theoretical measurements of conductance in an (AT)₁₂ DNA moleculeTADA, Tomofumi; KONDO, Masakazu; YOSHIZAWA, Kazunari et al.ChemPhysChem (Print). 2003, Vol 4, Num 11, pp 1256-1260, issn 1439-4235, 5 p.Article

Electronic structures of gold nanowiresHASEGAWA, Akira; YOSHIZAWA, Kazunari; HIRAO, Kazuyuki et al.Chemical physics letters. 2001, Vol 345, Num 5-6, pp 367-371, issn 0009-2614Article

Molecular Rectifier Based on π-π Stacked Charge Transfer ComplexTSUJI, Yuta; STAYKOV, Aleksandar; YOSHIZAWA, Kazunari et al.Journal of physical chemistry. C. 2012, Vol 116, Num 3, pp 2575-2580, issn 1932-7447, 6 p.Article

Oscillation of conductance in molecular junctions of carbon ladder compoundsTADA, Tomofumi; NOZAKI, Daijiro; KONDO, Masakazu et al.Journal of the American Chemical Society. 2004, Vol 126, Num 43, pp 14182-14189, issn 0002-7863, 8 p.Article

Oxidation of Silanes to Silanols on Pd Nanoparticles: H₂ Desorption Accelerated by Surface Oxygen AtomKAMACHI, Takashi; SHIMIZU, Ken-Ichi; YOSHIHIRO, Daisuke et al.Journal of physical chemistry. C. 2013, Vol 117, Num 44, pp 22967-22973, issn 1932-7447, 7 p.Article

Highly versatile organostibine mediators for living radical polymerizationYAMAGO, Shigeru; RAY, Biswajit; IIDA, Kazunori et al.Journal of the American Chemical Society. 2004, Vol 126, Num 43, pp 13908-13909, issn 0002-7863, 2 p.Article

Vibronic interactions and Jahn-Teller effects in π-conjugated systemsKATO, Takashi; YOSHIZAWA, Kazunari; YAMABE, Tokio et al.Synthetic metals. 2001, Vol 119, Num 1-3, pp 217-218, issn 0379-6779Conference Paper

Orbital view concept applied on photoswitching systemsTSUJI, Yuta; STAYKOV, Aleksandar; YOSHIZAWA, Kazunari et al.Thin solid films. 2009, Vol 518, Num 2, pp 444-447, issn 0040-6090, 4 p.Conference Paper