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List of works by Ayako Nakata

A cobalt phosphide catalyst for the hydrogenation of nitriles

scientific article published on 09 June 2020

Correlations between prenatal exposure to perfluorinated chemicals and reduced fetal growth

scientific article

Density functional theory for comprehensive orbital energy calculations.

scientific article published in August 2013

Efficient Calculation of Electronic Structure Using O(N) Density Functional Theory.

scientific article

Efficient Calculations with Multisite Local Orbitals in a Large-Scale DFT Code CONQUEST

scientific article published on 01 November 2014

Large scale and linear scaling DFT with the CONQUEST code

scientific article published on 01 April 2020

Large-Scale DFT Methods for Calculations of Materials with Complex Structures

scientific article published in 2022

On low-lying excited states of extended nanographenes.

scientific article published on 5 June 2017

Optimized multi-site local orbitals in the large-scale DFT program CONQUEST

scientific article published on 01 December 2015

Prediction of the coefficient of linear thermal expansion for the amorphous homopolymers based on chemical structure using machine learning

scientific article published in 2021

Prenatal exposure to perfluorinated chemicals and relationship with allergies and infectious diseases in infants

scientific article published on 24 October 2011

Relationship between orbital energy gaps and excitation energies for long-chain systems

scientific article published on 24 March 2016

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