Search filters

List of works by Tatsuhiko Ohto

Ab Initio Liquid Water Dynamics in Aqueous TMAO Solution

scientific article published on 20 July 2015

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

scientific article published on 13 August 2019

Aggregation-Induced Emission Enhancement from Disilane-Bridged Donor-Acceptor-Donor Luminogens Based on the Triarylamine Functionality.

scientific article published on 9 January 2018

Chemical Dopants on Edge of Holey Graphene Accelerate Electrochemical Hydrogen Evolution Reaction

scientific article published on 01 April 2019

Chemisorbed and Physisorbed Water at the TiO2/Water Interface

scientific article published on 27 April 2017

Chirality dependence of quantum thermal transport in carbon nanotubes at low temperatures: A first-principles study ⬇️

scientific article published on July 28, 2013

Cooperation between holey graphene and NiMo alloy for hydrogen evolution in an acidic electrolyte

Correction to Definition of Free O–H Groups of Water at the Air–Water Interface

scientific article published on 10 May 2018

Decoding the molecular water structure at complex interfaces through surface-specific spectroscopy of the water bending mode

scientific article published on 06 May 2020

Definition of Free O-H Groups of Water at the Air-Water Interface.

scientific article published on 20 November 2017

Effects of cis-trans Conformation between Thiophene Rings on Conductance of Oligothiophenes

scientific article published on 27 August 2019

Electrochemical TERS Elucidates Potential-Induced Molecular Reorientation of Adenine/Au(111).

scientific article published on 22 June 2017

Graphene Layer Encapsulation of Non-Noble Metal Nanoparticles as Acid-Stable Hydrogen Evolution Catalysts

Highly Luminescent 2D-Type Slab Crystals Based on a Molecular Charge-Transfer Complex as Promising Organic Light-Emitting Transistor Materials

scientific article published on 26 July 2017

Highly Planar and Completely Insulated Oligothiophenes: Effects of π-Conjugation on Hopping Charge Transport

scientific article published on 31 May 2019

Hydrogen Bonds and Molecular Orientations of Supramolecular Structure between Barbituric Acid and Melamine Derivative at the Air/Water Interface Revealed by Heterodyne-Detected Vibrational Sum Frequency Generation Spectroscopy

scientific article published on 12 March 2020

Improving Intramolecular Hopping Charge Transport via Periodical Segmentation of π-Conjugation in a Molecule

scientific article published on 22 December 2020

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

scientific article published on 27 May 2014

Large Hydrogen-Bond Mismatch between TMAO and Urea Promotes Their Hydrophobic Association

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

scientific article

Molecular Modeling of Water Interfaces: From Molecular Spectroscopy to Thermodynamics

scientific article published on 24 March 2016

Molecular Structure and Modeling of Water-Air and Ice-Air Interfaces Monitored by Sum-Frequency Generation

scientific article published on 06 March 2020

Orientational Distribution of Free O-H Groups of Interfacial Water is Exponential

scientific article published on 01 December 2018

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

scientific article published on 14 January 2013

Single molecular resistive switch obtained via sliding multiple anchoring points and varying effective wire length.

scientific article

Single-Molecule Conductance of a π-Hybridized Tripodal Anchor while Maintaining Electronic Communication

scientific article published on 18 December 2020

Single-molecule rectifiers based on voltage-dependent deformation of molecular orbitals in carbazole oligomers

scientific article published on 01 November 2018

Structure and Dynamics of Water at the Water-Air Interface Using First-Principles Molecular Dynamics Simulations within Generalized Gradient Approximation

scientific article published on 06 December 2018

Structure and Dynamics of Water at the Water-Air Interface Using First-Principles Molecular Dynamics Simulations. II. NonLocal vs Empirical van der Waals Corrections

scientific article published on 30 May 2019

Structure and dynamics of water at water–graphene and water–hexagonal boron-nitride sheet interfaces revealed by ab initio sum-frequency generation spectroscopy

scientific article published on 01 May 2018

Sun et al. Reply

scientific article published on 01 August 2019

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

scientific article published in May 2016

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

article by Yuki Nagata et al published 28 September 2015 in Physical Chemistry Chemical Physics

Thermoelectric efficiency of organometallic complex wires via quantum resonance effect and long-range electric transport property.

scientific article

Thermopower of benzenedithiol and C60 molecular junctions with Ni and Au electrodes.

scientific article

Three site molecular orbital controlled single-molecule rectifiers based on perpendicularly linked porphyrin-imide dyads

scientific article published on 21 November 2019

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

scientific article published in September 2015

Trimethylamine-N-oxide: its hydration structure, surface activity, and biological function, viewed by vibrational spectroscopy and molecular dynamics simulations.

scientific article published on 2 February 2017

Unveiling the Amphiphilic Nature of TMAO by Vibrational Sum Frequency Generation Spectroscopy

Vibrational couplings and energy transfer pathways of water's bending mode

scientific article published on 25 November 2020

Vibrational mode frequency correction of liquid water in density functional theory molecular dynamics simulations with van der Waals correction

scientific article published on 29 May 2020

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

scientific article published on 10 January 2017

Paulina is supported by:

About Paulina

Help