大学院理工学研究科
理工学部 物質創成化学科

論文

[21]
Shohei Yamazaki*
Concerted-asynchronous reaction path of the excited-state double proton transfer in the 7-azaindole homodimer and 6H-indolo[2,3-b]quinoline/7-azaindole heterodimer
Chem. Phys., DOI: 10.1016/j.chemphys.2017.11.009.

[20]
Xue-fang Yu,* Shohei Yamazaki and Tetsuya Taketsugu
Solvent effect on the excited-state double proton transfer mechanism in the 7-azaindole dimer: a TDDFT study with the polarizable continuum model
Phys. Chem. Chem. Phys., 19, 23289–23301 (2017).

[19]
Shinsuke Katayama, Shogo Fujii, Tomoya Saito, Shohei Yamazaki and Hideo Sawada*
Preparation of Fluoroalkyl End-Capped Vinyltrimethoxysilane Oligomeric Silica Nanocomposites Containing Gluconamide Units Possessing Highly Oleophobic/Superhydrophobic, Highly Oleophobic/Superhydrophilic, and Superoleophilic/Superhydrophobic Characteristics on the Modified Surfaces
Polymers, 9, 292 (2017).

[18]
Tomoya Saito, Shohei Yamazaki, Yusei Tsushima, Katsuyuki Sato and Hideo Sawada*
Reaction of Fluorinated Aliphatic Alcohols with Calcium Chloride: Formation of the Fluorinated Alcohol/Calcium Fluoride Nanocomposites - Thermal Stability and Application to the Surface Modification of These Nanocomposites
J. Coat. Technol. Res., 13, 851–861 (2016).

[17]
Franziska Buchner, Akira Nakayama,* Shohei Yamazaki, Hans-Hermann Ritze and Andrea Lübcke*
Excited-State Relaxation of Hydrated Thymine and Thymidine Measured by Liquid-Jet Photoelectron Spectroscopy: Experiment and Simulation
J. Am. Chem. Soc., 137, 2931–2938 (2015).

[16]
Akira Nakayama,* Shohei Yamazaki and Tetsuya Taketsugu
Quantum Chemical Investigations on the Nonradiative Deactivation Pathways of Cytosine Derivatives
J. Phys. Chem. A, 118, 9429–9437 (2014).

[15]
Shohei Yamazaki,* Shu-hei Urashima, Hiroyuki Saigusa and Tetsuya Taketsugu
Ab Initio Studies on the Photophysics of Uric Acid and Its Monohydrates: Role of the Water Molecule
J. Phys. Chem. A, 118, 1132–1141 (2014).

[14]
Akira Nakayama,* Gaku Arai, Shohei Yamazaki and Tetsuya Taketsugu
Solvent effects on the ultrafast nonradiative deactivation mechanisms of thymine in aqueous solution: Excited-state QM/MM molecular dynamics simulations
J. Chem. Phys., 139, 214304 (2013).

[13]
Akira Nakayama,* Yu Harabuchi, Shohei Yamazaki and Tetsuya Taketsugu
Photophysics of cytosine tautomers: new insights into the nonradiative decay mechanisms from MS-CASPT2 potential energy calculations and excited-state molecular dynamics simulations
Phys. Chem. Chem. Phys., 15, 12322–12339 (2013).

[12]
Xue-fang Yu, Shohei Yamazaki and Tetsuya Taketsugu*
Theoretical Study on Water-Mediated Excited-State Multiple Proton Transfer in 7-Azaindole: Significance of Hydrogen Bond Rearrangement
J. Phys. Chem. A, 116, 10566–10573 (2012).

[11]
Xue-fang Yu, Shohei Yamazaki and Tetsuya Taketsugu*
Theoretical study of the excited-state double proton transfer in the (3-methyl-7-azaindole)-(7-azaindole) heterodimer
J. Comput. Chem., 33, 1701–1708 (2012).

[10]
Shohei Yamazaki* and Tetsuya Taketsugu
Photoreaction channels of the guanine–cytosine base pair explored by long-range corrected TDDFT calculations
Phys. Chem. Chem. Phys., 14, 8866–8877 (2012).

[9]
Shohei Yamazaki* and Tetsuya Taketsugu
Nonradiative Deactivation Mechanisms of Uracil, Thymine, and 5-Fluorouracil: A Comparative ab Initio Study
J. Phys. Chem. A, 116, 491–503 (2012).

[8]
Xue-fang Yu, Shohei Yamazaki and Tetsuya Taketsugu*
Concerted or Stepwise Mechanism? CASPT2 and LC-TDDFT Study of the Excited-State Double Proton Transfer in the 7-Azaindole Dimer
J. Chem. Theory Comput., 7, 1006–1015 (2011).

[7]
Shohei Yamazaki,* Andrzej L. Sobolewski and Wolfgang Domcke
Molecular mechanisms of the photostability of indigo
Phys. Chem. Chem. Phys., 13, 1618–1628 (2011).

[6]
Shohei Yamazaki,* Andrzej L. Sobolewski and Wolfgang Domcke
Photophysics of xanthine: computational study of the radiationless decay mechanisms
Phys. Chem. Chem. Phys., 11, 10165–10174 (2009).

[5]
Shohei Yamazaki,* Wolfgang Domcke and Andrzej L. Sobolewski
Nonradiative Decay Mechanisms of the Biologically Relevant Tautomer of Guanine
J. Phys. Chem. A, 112, 11965–11968 (2008).

[4]
Shohei Yamazaki* and Wolfgang Domcke
Ab Initio Studies on the Photophysics of Guanine Tautomers: Out-of-Plane Deformation and NH Dissociation Pathways to Conical Intersections
J. Phys. Chem. A, 112, 7090–7097 (2008).

[3]
Shohei Yamazaki and Shigeki Kato*
Solvent Effect on Conical Intersections in Excited-State 9H-Adenine: Radiationless Decay Mechanism in Polar Solvent
J. Am. Chem. Soc., 129, 2901–2909 (2007).

[2]
Shohei Yamazaki and Shigeki Kato*
Locating the lowest free-energy point on conical intersection in polar solvent: Reference interaction site model self-consistent field study of ethylene and CH2NH2+
J. Chem. Phys., 123, 114510 (2005).

[1]
Shohei Yamazaki and Shigeki Kato*
Excited-state proton transfer of 1-[(dimethylamino)methyl]-2-naphthol in acetonitrile solvent: RISM-SCF and MRMP approach
Chem. Phys. Lett., 386, 414–418 (2004).