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Toru Matsui
Toru Matsui
University of Tsukuba, Department of Chemistry, Graduate School of Pure and Applied Sciences
Verified email at chem.tsukuba.ac.jp - Homepage
Title
Cited by
Cited by
Year
Accurate Standard Hydrogen Electrode Potential and Applications to the Redox Potentials of Vitamin C and NAD/NADH
T Matsui, Y Kitagawa, M Okumura, Y Shigeta
The Journal of Physical Chemistry A 119 (2), 369–376, 2015
1272015
Transition state optimization based on approximate spin-projection (AP) method
T Saito, S Nishihara, Y Kataoka, Y Nakanishi, T Matsui, Y Kitagawa, ...
Chemical Physics Letters 483 (1-3), 168-171, 2009
872009
Spin Contamination Error in Optimized Geometry of Singlet Carbene (1A1) by Broken-Symmetry Method
Y Kitagawa, T Saito, Y Nakanishi, Y Kataoka, T Matsui, T Kawakami, ...
The Journal of Physical Chemistry A 113 (52), 15041-15046, 2009
862009
An accurate density functional theory based estimation of p K a values of polar residues combined with experimental data: from amino acids to minimal proteins
T Matsui, T Baba, K Kamiya, Y Shigeta
Physical Chemistry Chemical Physics 14 (12), 4181-4187, 2012
822012
Consistent scheme for computing standard hydrogen electrode and redox potentials
T Matsui, Y Kitagawa, M Okumura, Y Shigeta, S Sakaki
Journal of Computational Chemistry 34 (1), 21-26, 2013
452013
A density functional theory based protocol to compute the redox potential of transition metal complex with the correction of pseudo-counterion: General theory and applications
T Matsui, Y Kitagawa, Y Shigeta, M Okumura
Journal of Chemical Theory and Computation 9 (7), 2974-2980, 2013
432013
A density functional study on the pKa of small polyprotic molecules
T Baba, T Matsui, K Kamiya, M Nakano, Y Shigeta
International Journal of Quantum Chemistry 114 (17), 1128-1134, 2014
422014
Effects of mercury (II) on structural properties, electronic structure and UV absorption spectra of a duplex containing thymine–mercury (II)–thymine nucleobase pairs
H Miyachi, T Matsui, Y Shigeta, K Hirao
Physical Chemistry Chemical Physics 12 (4), 909-917, 2010
422010
Multiple proton-transfer reactions in DNA base pairs by coordination of Pt complex
T Matsui, Y Shigeta, K Hirao
The Journal of Physical Chemistry B 111 (5), 1176-1181, 2007
412007
A Simple scheme for estimating the pKa values of 5-substituted uracils
T Matsui, A Oshiyama, Y Shigeta
Chemical Physics Letters 502 (4-6), 248-252, 2011
392011
Influence of Pt complex binding on the guanine–cytosine pair: A theoretical study
T Matsui, Y Shigeta, K Hirao
Chemical physics letters 423 (4-6), 331-334, 2006
342006
How Can We Understand Au8 Cores and Entangled Ligands of Selenolate- and Thiolate-Protected Gold Nanoclusters Au24(ER)20 and Au20(ER)16 (E = Se, S …
N Takagi, K Ishimura, M Matsui, R Fukuda, T Matsui, T Nakajima, M Ehara, ...
Journal of the American Chemical Society 137 (26), 8593-8602, 2015
312015
Assessment of Methodology and Chemical Group Dependences in the Calculation of the pKa for Several Chemical Groups
T Matsui, Y Shigeta, K Morihashi
Journal of Chemical Theory and Computation 13 (10), 4791-4803, 2017
302017
Which hybrid GGA DFT is suitable for Cu2O2 systems if the spin contamination error is removed?
T Saito, Y Kataoka, Y Nakanishi, T Matsui, Y Kitagawa, T Kawakami, ...
Chemical Physics 368 (1-2), 1-6, 2010
282010
Sequence-dependent proton-transfer reaction in stacked GC pair II: The origin of stabilities of proton-transfer products
T Matsui, T Sato, Y Shigeta, K Hirao
Chemical Physics Letters 478 (4-6), 238-242, 2009
232009
Theoretical studies of electronic structures, magnetic properties and electron conductivities of one-dimensional Ni n (n= 3, 5, 7) complexes
Y Kitagawa, T Matsui, Y Nakanishi, Y Shigeta, T Kawakami, M Okumura, ...
Dalton Transactions 42 (45), 16200-16208, 2013
222013
Analyses of thiophene-based donor–acceptor semiconducting polymers toward designing optical and conductive properties: A theoretical perspective
T Matsui, Y Imamura, I Osaka, K Takimiya, T Nakajima
The Journal of Physical Chemistry C 120 (15), 8305-8314, 2016
212016
DFT and TD-DFT studies of electronic structures and one-electron excitation states of a cyanide-bridged molecular square complex
Y Kitagawa, M Asaoka, K Miyagi, T Matsui, M Nihei, H Oshio, M Okumura, ...
Inorganic Chemistry Frontiers 2 (8), 771-779, 2015
192015
Theoretical study on reaction mechanisms of nitrite reduction by copper nitrite complexes: toward understanding and controlling possible mechanisms of copper nitrite reductase
S Maekawa, T Matsui, K Hirao, Y Shigeta
The Journal of Physical Chemistry B 119 (17), 5392-5403, 2015
182015
Theoretical study on reaction scheme of silver (I) containing 5-substituted uracils bridge formation
T Matsui, H Miyachi, T Baba, Y Shigeta
The Journal of Physical Chemistry A 115 (30), 8504-8510, 2011
182011
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