Literature DB >> 23252457

Density functional theory studies of the electronic structure of solid state actinide oxides.

Xiao-Dong Wen1, Richard L Martin, Thomas M Henderson, Gustavo E Scuseria.   

Abstract

Entities:  

Year:  2012        PMID： 23252457     DOI： 10.1021/cr300374y

Source DB:  PubMed          Journal:  Chem Rev        ISSN： 0009-2665            Impact factor:   60.622


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  8 in total

1.  Interpretations of ground-state symmetry breaking and strong correlation in wavefunction and density functional theories.

Authors:  John P Perdew; Adrienn Ruzsinszky; Jianwei Sun; Niraj K Nepal; Aaron D Kaplan
Journal:  Proc Natl Acad Sci U S A       Date:  2021-01-26       Impact factor: 12.779

2.  Stability and optical properties of plutonium monoxide from first-principle calculation.

Authors:  Ruizhi Qiu; Yongbin Zhang; Bingyun Ao
Journal:  Sci Rep       Date:  2017-09-22       Impact factor: 4.379

3.  Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex.

Authors:  Alison B Altman; Alexandra C Brown; Guodong Rao; Trevor D Lohrey; R David Britt; Laurent Maron; Stefan G Minasian; David K Shuh; John Arnold
Journal:  Chem Sci       Date:  2018-04-24       Impact factor: 9.825

4.  First-Principles Study of Thermo-Physical Properties of Pu-Containing Gd₂Zr₂O₇.

Authors:  Pengcheng Li; Fengai Zhao; Haiyan Xiao; Haibin Zhang; Hengfeng Gong; Sa Zhang; Zijiang Liu; Xiaotao Zu
Journal:  Nanomaterials (Basel)       Date:  2019-02-03       Impact factor: 5.076

5.  Theoretical prediction of some layered Pa2O5 phases: structure and properties.

Authors:  Tao Liu; Shichang Li; Tao Gao; Bingyun Ao
Journal:  RSC Adv       Date:  2019-10-02       Impact factor: 4.036

6.  Mössbauer Spectroscopy of Iron Carbides: From Prediction to Experimental Confirmation.

Authors:  Xing-Wu Liu; Shu Zhao; Yu Meng; Qing Peng; Albert K Dearden; Chun-Fang Huo; Yong Yang; Yong-Wang Li; Xiao-Dong Wen
Journal:  Sci Rep       Date:  2016-05-18       Impact factor: 4.379

7.  Ferromagnetic Half-Metal Cyanamides Cr(NCN)2 Predicted from First Principles Investigation.

Authors:  Zhilue Wang; Shoujiang Qu; Hongping Xiang; Zhangzhen He; Jun Shen
Journal:  Materials (Basel)       Date:  2020-04-11       Impact factor: 3.623

8.  Microcavity Enhanced Raman Spectroscopy of Fullerene C60 Bucky Balls.

Authors:  Vinayaka H Damle; Miri Sinwani; Hagit Aviv; Yaakov R Tischler
Journal:  Sensors (Basel)       Date:  2020-03-07       Impact factor: 3.576
  8 in total

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