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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.Structural origin of copper ion containing artificial DNA: a density functional study.Effects of mercury(II) on structural properties, electronic structure and UV absorption spectra of a duplex containing thymine-mercury(II)-thymine nucleobase pairs.Theoretical studies of electronic structures, magnetic properties and electron conductivities of one-dimensional Ni(n) (n = 3, 5, 7) complexes.Assessment of Methodology and Chemical Group Dependences in the Calculation of the pKa for Several Chemical Groups.Nylon-Oligomer Hydrolase Promoting Cleavage Reactions in Unnatural Amide Compounds.Accurate standard hydrogen electrode potential and applications to the redox potentials of vitamin C and NAD/NADH.Molecular Dynamics and Quantum Chemical Approach for the Estimation of an Intramolecular Hydrogen Bond Strength in Okadaic AcidA Density Functional Theory-Based Scheme to Compute the Redox Potential of a Transition Metal Complex: Applications to Heme CompoundTheoretical insight into stereoselective reaction mechanisms of 2,4-pentanediol-tethered ketene-olefin [2 + 2] cycloadditionTheoretical study on reaction scheme of silver(I) containing 5-substituted uracils bridge formationSpin contamination error in optimized geometry of singlet carbene ((1)A1) by broken-symmetry methodConsistent scheme for computing standard hydrogen electrode and redox potentialsTheoretical study on reaction mechanisms of nitrite reduction by copper nitrite complexes: toward understanding and controlling possible mechanisms of copper nitrite reductaseA computational scheme of pKa values based on the three-dimensional reference interaction site model self-consistent field theory coupled with the linear fitting correction scheme
P50
Q40303247-5D7B2B47-2C03-4098-B4A1-B4831F1B2B40Q42617756-937B4963-2A06-4B3C-90F1-C4BE2938F7F1Q43196901-48325A36-037E-40B6-98A4-F4486C7B88D0Q46976756-3363A4E9-C259-49F4-9D80-468CFC79E0E0Q48054912-24170559-7479-459E-AF78-88DE5ACC4258Q50673550-2D30868D-8C5D-4C6A-9814-A112235FC5ABQ53359626-0C89FD70-3838-414C-BDFD-C7AF1844E2A3Q57120586-D4CF1B9E-FD4D-4109-BB2D-96F07178FFB5Q64106121-57F34645-E39F-4D86-BB5C-6F205D88C795Q83181835-AEBEB370-6512-426D-922A-3F238A1E03B8Q84397690-5E93A639-D6FD-403C-977F-4525FD4BD0C8Q84687529-20497DC4-7583-423C-AE9D-4C0B975B269AQ84881728-595246BB-7ABC-4034-BC66-DE870612F187Q87059791-59408189-AA51-4EC2-8CB6-FACF3AC18CA2Q91243029-916131E5-5EC4-452A-B0CF-70A5419BCC0A
P50
description
researcher (ORCID 0000-0001-9847-5925)
@en
name
Toru Matsui
@en
type
label
Toru Matsui
@en
prefLabel
Toru Matsui
@en
P31
P496
0000-0001-9847-5925