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Physical Chemistry Chemical Physics : PCCP|November 9, 2019
A novel ring-shaped reaction pathway with interconvertible intermediates in chitinase A as revealed by QM/MM simulation combined with a one-dimensional projection techniqueTsubasa Iino, Minoru Sakurai, Tadaomi FurutaThe Journal of Chemical Physics|February 8, 2023
Algorithm for analytic nuclear energy gradients of state averaged DMRG-CASSCF theory with newly derived coupled-perturbed equationsTsubasa Iino, Toru Shiozaki, Takeshi YanaiThe Journal of Chemical Physics|February 23, 2026
Concerted proton-electron transfer via vibration correlation function approach with effective anharmonicity: Beyond classical approximation with Duschinsky effectsTsubasa Iino, Shion Sendo, Takeshi YanaiPageof 1