Matubayasi N - Search Results

1

How do hydrogen bonds break in supercooled water?: Detecting pathways not going through saddle point of two-dimensional potential of mean force.

Kikutsuji T, Kim K, Matubayasi N. Kikutsuji T, et al. Among authors: matubayasi n. J Chem Phys. 2018 Jun 28;148(24):244501. doi: 10.1063/1.5033419. J Chem Phys. 2018. PMID: 29960335

2

A quantum chemical approach to the free energy calculations in condensed systems: the QM/MM method combined with the theory of energy representation.

Takahashi H, Matubayasi N, Nakahara M, Nitta T. Takahashi H, et al. Among authors: matubayasi n. J Chem Phys. 2004 Sep 1;121(9):3989-99. doi: 10.1063/1.1774981. J Chem Phys. 2004. PMID: 15332945

3

A novel quantum mechanical/molecular mechanical approach to the free energy calculation for isomerization of glycine in aqueous solution.

Takahashi H, Kawashima Y, Nitta T, Matubayasi N. Takahashi H, et al. Among authors: matubayasi n. J Chem Phys. 2005 Sep 22;123(12):124504. doi: 10.1063/1.2008234. J Chem Phys. 2005. PMID: 16392495

4

Self-diffusion of supercritical water in extremely low-density region.

Yoshida K, Matubayasi N, Nakahara M. Yoshida K, et al. Among authors: matubayasi n. J Chem Phys. 2006 Aug 21;125(7):074307. doi: 10.1063/1.2333511. J Chem Phys. 2006. PMID: 16942339 Free article.

5

Rotational dynamics of water and benzene controlled by anion field in ionic liquids: 1-butyl-3-methylimidazolium chloride and hexafluorophosphate.

Yasaka Y, Wakai C, Matubayasi N, Nakahara M. Yasaka Y, et al. Among authors: matubayasi n. J Chem Phys. 2007 Sep 14;127(10):104506. doi: 10.1063/1.2768039. J Chem Phys. 2007. PMID: 17867760

6

Solvation shell dynamics studied by molecular dynamics simulation in relation to the translational and rotational dynamics of supercritical water and benzene.

Yoshida K, Matubayasi N, Nakahara M. Yoshida K, et al. Among authors: matubayasi n. J Chem Phys. 2007 Nov 7;127(17):174509. doi: 10.1063/1.2780871. J Chem Phys. 2007. PMID: 17994829 Free article.

7

Investigation of the dominant hydration structures among the ionic species in aqueous solution: novel quantum mechanics/molecular mechanics simulations combined with the theory of energy representation.

Takahashi H, Ohno H, Yamauchi T, Kishi R, Furukawa S, Nakano M, Matubayasi N. Takahashi H, et al. Among authors: matubayasi n. J Chem Phys. 2008 Feb 14;128(6):064507. doi: 10.1063/1.2825600. J Chem Phys. 2008. PMID: 18282056

8

Computation of the free energy change associated with one-electron reduction of coenzyme immersed in water: a novel approach within the framework of the quantum mechanical/molecular mechanical method combined with the theory of energy representation.

Takahashi H, Ohno H, Kishi R, Nakano M, Matubayasi N. Takahashi H, et al. Among authors: matubayasi n. J Chem Phys. 2008 Nov 28;129(20):205103. doi: 10.1063/1.3026506. J Chem Phys. 2008. PMID: 19045881

9

Self-diffusion coefficients for water and organic solvents at high temperatures along the coexistence curve.

Yoshida K, Matubayasi N, Nakahara M. Yoshida K, et al. Among authors: matubayasi n. J Chem Phys. 2008 Dec 7;129(21):214501. doi: 10.1063/1.3006420. J Chem Phys. 2008. PMID: 19063563

10

Communication: Free-energy analysis of hydration effect on protein with explicit solvent: equilibrium fluctuation of cytochrome c.

Karino Y, Matubayasi N. Karino Y, et al. Among authors: matubayasi n. J Chem Phys. 2011 Jan 28;134(4):041105. doi: 10.1063/1.3535560. J Chem Phys. 2011. PMID: 21280680

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