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Authors whose works are in public domain in at least one jurisdiction

List of works by Cai-Rong Zhang

Assessment of Ab Initio and Density Functional Theory Methods for the Excitations of Donor-Acceptor Complexes: The Case of the Benzene-Tetracyanoethylene Model

scientific article published on 10 April 2018

Communication: orbital instabilities and triplet states from time-dependent density functional theory and long-range corrected functionals

scientific article published on 01 October 2011

Comparative study on electronic structures and optical properties of indoline and triphenylamine dye sensitizers for solar cells

scientific article published on 28 December 2012

Electronic structures and optical properties of organic dye sensitizer NKX derivatives for solar cells: a theoretical approach

scientific article published on 25 September 2012

First-Principles Study of the Reaction between Fluorinated Graphene and Ethylenediamine

scientific article published on 14 January 2019

Impact of Electron Delocalization on the Nature of the Charge-Transfer States in Model Pentacene/C60 Interfaces: A Density Functional Theory Study

article

Li-Decorated β12-Borophene as Potential Candidates for Hydrogen Storage: A First-Principle Study

scientific article published on 7 December 2017

Molecular Docking toward Panchromatic Dye Sensitizers for Solar Cells Based upon Tetraazulenylporphyrin and Tetraanthracenylporphyrin.

scientific article published on 20 March 2017

Scandium Decoration of Boron Doped Porous Graphene for High-Capacity Hydrogen Storage

scientific article published on 27 June 2019

The Electronic Structures and Optical Properties of Alkaline-Earth Metals Doped Anatase TiO2: A Comparative Study of Screened Hybrid Functional and Generalized Gradient Approximation

scientific article published on 24 August 2015

The electronic structure engineering of organic dye sensitizers for solar cells: The case of JK derivatives

scientific article

Theoretical Study of Hydrogen on LaFeO₃ (010) Surface Adsorption and Subsurface Diffusion

scientific article published on 22 November 2018

Theoretical Study of the Local and Charge-Transfer Excitations in Model Complexes of Pentacene-C60 Using Tuned Range-Separated Hybrid Functionals.

scientific article published on June 2014

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