嶺澤範行 (Noriyuki Minezawa) - マイポータル

基本情報

所属: 東京大学大学院新領域創成科学研究科特任助教

研究者番号: 60623329
ORCID iD: https://orcid.org/0000-0003-0054-713X
J-GLOBAL ID: 201401097370149145
researchmap会員ID: 7000009666

研究分野

自然科学一般 / 生物物理、化学物理、ソフトマターの物理 /

論文

A density functional study of the photocatalytic degradation of polycaprolactone by the decatungstate anion in acetonitrile solution

Noriyuki Minezawa, Kosuke Suzuki, Susumu Okazaki

Physical Chemistry Chemical Physics 26(15) 11746-11754 2024年
Multi-stimuli-responsive polymer degradation by polyoxometalate photocatalysis and chloride ion

Chen Gu, Chifeng Li, Noriyuki Minezawa, Susumu Okazaki, Kazuya Yamaguchi, Kosuke Suzuki

Nanoscale 2024年
Quantum mechanical/molecular mechanical trajectory surface hopping molecular dynamics simulation by spin-flip time-dependent density functional theory

Noriyuki Minezawa, Takahito Nakajima

The Journal of Chemical Physics 152(2) 024119-024119 2020年1月14日査読有り
Trajectory surface hopping molecular dynamics simulation by spin-flip time-dependent density functional theory

Noriyuki Minezawa, Takahito Nakajima

The Journal of Chemical Physics 150(20) 204120-204120 2019年5月28日査読有り
Vertical excitation energies of linear cyanine dyes by spin-flip time-dependent density functional theory

Minezawa Noriyuki

Chemical Physics Letters 622 115-119 2015年2月査読有り
Optimizing minimum free-energy crossing points in solution: Linear-response free energy/spin-flip density functional theory approach.

Minezawa Noriyuki

The Journal of chemical physics 141(16) 164118-164118 2014年10月28日査読有り
State-specific solvation effect on the intramolecular charge transfer reaction in solution: A linear-response free energy TDDFT method

Minezawa Noriyuki

Chemical Physics Letters 608 140-144 2014年7月査読有り
Excited-state free energy surfaces in solution: Time-dependent density functional theory∕reference interaction site model self-consistent field method.

Minezawa Noriyuki

The Journal of chemical physics 138(24) 244101-244101 2013年6月28日査読有り
Excited-State Hydrogen Atom Transfer Reaction in Solvated 7-Hydroxy-4-methylcoumarin

De Silva, Nuwan, Minezawa, Noriyuki, Gordon, Mark S.

Journal of Physical Chemistry B 117(49) 15386-15394 2013年査読有り
Automated Search for Minimum Energy Conical Intersection Geometries between the Lowest Two Singlet States S-0/S-1-MECIs by the Spin-Flip TDDFT Method

Harabuchi, Yu, Maeda, Satoshi, Taketsugu, Tetsuya, Minezawa, Noriyuki, Morokuma, Keiji

Journal of Chemical Theory and Computation 9(9) 4116-4123 2013年査読有り
Optimizing conical intersections of solvated molecules: The combined spin-flip density functional theory/effective fragment potential method

Minezawa, Noriyuki, Gordon, Mark S.

Journal of Chemical Physics 137(3) 034116-034116 2012年7月21日査読有り
Fragment Molecular Orbital Molecular Dynamics with the Fully Analytic Energy Gradient

Brorsen, Kurt R., Minezawa, Noriyuki, Xu, Feng, Windus, Theresa L., Gordon, Mark S.

Journal of Chemical Theory and Computation 8(12) 5008-5012 2012年査読有り
Fragment molecular orbital theory: A path to ab initio molecular dynamics

Gordon, Mark, Brorsen, Kurt, Minezawa, Noriyuki, Pruitt, Spencer

Abstracts of Papers of the American Chemical Society 244 2012年査読有り
Implementation of the analytic energy gradient for the combined time-dependent density functional theory/effective fragment potential method: Application to excited-state molecular dynamics simulations

Minezawa, Noriyuki, De Silva, Nuwan, Zahariev, Federico, Gordon, Mark S.

Journal of Chemical Physics 134(5) 054111-054111 2011年2月7日
Modeling Solvent Effects on Electronic Excited States

DeFusco, Albert, Minezawa, Noriyuki, Slipchenko, Lyudmila V., Zahariev, Federico, Gordon, Mark S.

Journal of Physical Chemistry Letters 2(17) 2184-2192 2011年査読有り
Photoisomerization of Stilbene: A Spin-Flip Density Functional Theory Approach

Minezawa, Noriyuki, Gordon, Mark S.

Journal of Physical Chemistry a 115(27) 7901-7911 2011年査読有り
Electronic spectra of coumarin-151 in polar solvents: Linear response free energy approach

Aono, Shinji, Minezawa, Noriyuki, Kato, Shigeki

Chemical Physics Letters 492(1-3) 193-197 2010年査読有り
Optimizing Conical Intersections by Spin-Flip Density Functional Theory: Application to Ethylene

Minezawa, Noriyuki, Gordon, Mark S.

Journal of Physical Chemistry a 113(46) 12749-12753 2009年査読有り
PHYS 260-Implementation of analytical energy gradient for the time-dependent density-functional theory/effective fragment potential method: Application to the excited-state molecular dynamics in the solution phase

Minezawa, Noriyuki, Zahariev, Federico, Gordon, Mark S.

Abstracts of Papers of the American Chemical Society 237 2009年査読有り
Efficient implementation of three-dimensional reference interaction site model self-consistent-field method: Application to solvatochromic shift calculations

JOURNAL OF CHEMICAL PHYSICS 126(5) 054511-054511 2007年2月7日査読有り

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