Literature DB >> 9913356

Simple spin correction of unrestricted density-functional calculation.

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Abstract

Year:  1996        PMID： 9913356     DOI： 10.1103/physreva.53.3946

Source DB:  PubMed          Journal:  Phys Rev A        ISSN： 1050-2947            Impact factor:   3.140


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  3 in total

1.  Computational investigation on redox-switchable nonlinear optical properties of a series of polycyclic p-quinodimethane molecules.

Authors:  Yong-Qing Qiu; Wen-Yong Wang; Na-Na Ma; Cun-Huan Wang; Meng-Ying Zhang; Hai-Yan Zou; Peng-Jun Liu
Journal:  J Mol Model       Date:  2013-11-17       Impact factor: 1.810

2.  Diradicalar Character and Ring Stability of Mesoionic Heterocyclic Oxazoles and Thiazoles by Ab Initio Mono and Multi-Reference Methods.

Authors:  Antonio João da Silva Filho; Lucinêz da Cruz Dantas; Otávio Luís de Santana
Journal:  Molecules       Date:  2020-10-02       Impact factor: 4.411

3.  Modeling the Electron Transfer Chain in an Artificial Photosynthetic Machine.

Authors:  Umberto Raucci; Marika Savarese; Carlo Adamo; Ilaria Ciofini; Nadia Rega
Journal:  J Phys Chem Lett       Date:  2020-11-03       Impact factor: 6.475
  3 in total

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