Ohto T - Search Results

1

Accessing the Accuracy of Density Functional Theory through Structure and Dynamics of the Water-Air Interface.

Ohto T, Dodia M, Xu J, Imoto S, Tang F, Zysk F, Kühne TD, Shigeta Y, Bonn M, Wu X, Nagata Y. Ohto T, et al. J Phys Chem Lett. 2019 Sep 5;10(17):4914-4919. doi: 10.1021/acs.jpclett.9b01983. Epub 2019 Aug 13. J Phys Chem Lett. 2019. PMID: 31393136 Free PMC article.

2

Influence of surface polarity on water dynamics at the water/rutile TiO₂(110) interface.

Ohto T, Mishra A, Yoshimune S, Nakamura H, Bonn M, Nagata Y. Ohto T, et al. J Phys Condens Matter. 2014 Jun 18;26(24):244102. doi: 10.1088/0953-8984/26/24/244102. Epub 2014 May 27. J Phys Condens Matter. 2014. PMID: 24862873

3

Ab Initio Liquid Water Dynamics in Aqueous TMAO Solution.

Usui K, Hunger J, Sulpizi M, Ohto T, Bonn M, Nagata Y. Usui K, et al. Among authors: ohto t. J Phys Chem B. 2015 Aug 20;119(33):10597-606. doi: 10.1021/acs.jpcb.5b02579. Epub 2015 Jul 20. J Phys Chem B. 2015. PMID: 26172877

4

The surface roughness, but not the water molecular orientation varies with temperature at the water-air interface.

Nagata Y, Hasegawa T, Backus EH, Usui K, Yoshimune S, Ohto T, Bonn M. Nagata Y, et al. Among authors: ohto t. Phys Chem Chem Phys. 2015 Sep 28;17(36):23559-64. doi: 10.1039/c5cp04022a. Phys Chem Chem Phys. 2015. PMID: 26299523

5

Toward ab initio molecular dynamics modeling for sum-frequency generation spectra; an efficient algorithm based on surface-specific velocity-velocity correlation function.

Ohto T, Usui K, Hasegawa T, Bonn M, Nagata Y. Ohto T, et al. J Chem Phys. 2015 Sep 28;143(12):124702. doi: 10.1063/1.4931106. J Chem Phys. 2015. PMID: 26429027

6

Lipid carbonyl groups terminate the hydrogen bond network of membrane-bound water.

Ohto T, Backus EH, Hsieh CS, Sulpizi M, Bonn M, Nagata Y. Ohto T, et al. J Phys Chem Lett. 2015 Nov 19;6(22):4499-503. doi: 10.1021/acs.jpclett.5b02141. Epub 2015 Nov 2. J Phys Chem Lett. 2015. PMID: 26506078

7

Polarizable Site Charge Model at Liquid/Solid Interfaces for Describing Surface Polarity: Application to Structure and Molecular Dynamics of Water/Rutile TiO2(110) Interface.

Nakamura H, Ohto T, Nagata Y. Nakamura H, et al. Among authors: ohto t. J Chem Theory Comput. 2013 Feb 12;9(2):1193-201. doi: 10.1021/ct300998z. Epub 2013 Jan 14. J Chem Theory Comput. 2013. PMID: 26588762

8

Molecular Modeling of Water Interfaces: From Molecular Spectroscopy to Thermodynamics.

Nagata Y, Ohto T, Backus EH, Bonn M. Nagata Y, et al. Among authors: ohto t. J Phys Chem B. 2016 Apr 28;120(16):3785-96. doi: 10.1021/acs.jpcb.6b01012. Epub 2016 Apr 8. J Phys Chem B. 2016. PMID: 27010817 Review.

9

Surface tension of ab initio liquid water at the water-air interface.

Nagata Y, Ohto T, Bonn M, Kühne TD. Nagata Y, et al. Among authors: ohto t. J Chem Phys. 2016 May 28;144(20):204705. doi: 10.1063/1.4951710. J Chem Phys. 2016. PMID: 27250323

10

π⁺-π⁺ stacking of imidazolium cations enhances molecular layering of room temperature ionic liquids at their interfaces.

Tang F, Ohto T, Hasegawa T, Bonn M, Nagata Y. Tang F, et al. Among authors: ohto t. Phys Chem Chem Phys. 2017 Jan 25;19(4):2850-2856. doi: 10.1039/c6cp07034e. Phys Chem Chem Phys. 2017. PMID: 28071776

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