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Jing, Qun, Dong, Xiaoyu, Chen, Xinglong, Yang, Zhihua, Pan, Shilie, Lei, Chen (2015) The lone-pairs enhanced birefringence and SHG response: A DFT investigation on M2B5O9Cl (M=Sr, Ba, and Pb). Chemical Physics, 453. 42-46 doi:10.1016/j.chemphys.2015.04.001

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Reference TypeJournal (article/letter/editorial)
TitleThe lone-pairs enhanced birefringence and SHG response: A DFT investigation on M2B5O9Cl (M=Sr, Ba, and Pb)
JournalChemical Physics
AuthorsJing, QunAuthor
Dong, XiaoyuAuthor
Chen, XinglongAuthor
Yang, ZhihuaAuthor
Pan, ShilieAuthor
Lei, ChenAuthor
Year2015 (May)Volume453
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2015.04.001Search in ResearchGate
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Mindat Ref. ID5963951Long-form Identifiermindat:1:5:5963951:2
GUID0
Full ReferenceJing, Qun, Dong, Xiaoyu, Chen, Xinglong, Yang, Zhihua, Pan, Shilie, Lei, Chen (2015) The lone-pairs enhanced birefringence and SHG response: A DFT investigation on M2B5O9Cl (M=Sr, Ba, and Pb). Chemical Physics, 453. 42-46 doi:10.1016/j.chemphys.2015.04.001
Plain TextJing, Qun, Dong, Xiaoyu, Chen, Xinglong, Yang, Zhihua, Pan, Shilie, Lei, Chen (2015) The lone-pairs enhanced birefringence and SHG response: A DFT investigation on M2B5O9Cl (M=Sr, Ba, and Pb). Chemical Physics, 453. 42-46 doi:10.1016/j.chemphys.2015.04.001
In(n.d.) Chemical Physics Vol. 453. Elsevier BV

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Jing, Qun, Yang, Zhihua, Pan, Shilie, Xue, Dongfeng (2015) Contribution of lone-pairs to birefringence affected by the Pb(ii) coordination environment: a DFT investigation. Physical Chemistry Chemical Physics, 17 (34). 21968-21973 doi:10.1039/c5cp03584h
Li, Danni, Jing, Qun, Lei, Chen, Pan, Shilie, Zhang, Bingbing, Yang, Zhihua (2015) Theoretical perspective of the lone pair activity influence on band gap and SHG response of lead borates. RSC Advances, 5 (97). 79882-79887 doi:10.1039/c5ra13647d
Dong, Xiaoyu, Jing, Qun, Shi, Yunjing, Yang, Zhihua, Pan, Shilie, Poeppelmeier, Kenneth R., Young, Joshua, Rondinelli, James M. (2015) Pb2Ba3(BO3)3Cl: A Material with Large SHG Enhancement Activated by Pb-Chelated BO3 Groups. Journal Of The American Chemical Society, 137 (29) 9417-9422 doi:10.1021/jacs.5b05406
Hu, Cong, Mutailipu, Miriding, Wang, Ying, Guo, Fengjiao, Yang, Zhihua, Pan, Shilie (2017) The activity of lone pair contributing to SHG response in bismuth borates: a combination investigation from experiment and DFT calculation. Physical Chemistry Chemical Physics, 19 (37). 25270-25276 doi:10.1039/c7cp04154c
Jing, Qun, Dong, Xiaoyu, Yang, Zhihua, Pan, Shilie, Zhang, Bingbing, Huang, Xuchu, Chen, Mingwei (2014) The interaction between cations and anionic groups inducing SHG enhancement in a series of apatite-like crystals: A first-principles study. Journal of Solid State Chemistry, 219. 138-142 doi:10.1016/j.jssc.2014.07.027
Chen, Xinglong, Zhang, Fangfang, Liu, Lili, Lei, Bing-Hua, Dong, Xiaoyu, Yang, Zhihua, Li, Hongyi, Pan, Shilie (2016) Li3AlSiO5: the first aluminosilicate as a potential deep-ultraviolet nonlinear optical crystal with the quaternary diamond-like structure. Physical Chemistry Chemical Physics, 18 (6). 4362-4369 doi:10.1039/c5cp06884c
Jing, Qun, Dong, Xiaoyu, Yang, Zhihua, Pan, Shilie (2015) Synthesis and optical properties of the first lead borate bromide with isolated BO3groups: Pb2Ba3(BO3)3Br. Dalton Transactions, 44 (38). 16818-16823 doi:10.1039/c5dt02652k
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Hou, Dianwei, Lei, Bing-Hua, Pan, Shilie, Zhang, Bingbing, Yang, Zhihua (2016) Influence of original and simulated microscopic units on SHG response in semiorganic NLO materials. RSC Advances, 6 (46). 39534-39540 doi:10.1039/c6ra02474b
Chen, Zhaohui, Pan, Shilie, Jing, Qun, Yang, Yun, Dong, Xiaoyu, Bian, Qiang, Han, Jian, Dong, Lingyun, Yang, Zhihua (2014) Preparation, Structure, and Second-order Nonlinear Optical Properties of a Borate-Carboxylic Acid Compound: NH4B[d-(+)-C4H4O5]2·H2O. Zeitschrift für anorganische und allgemeine Chemie, 640. 140-146 doi:10.1002/zaac.201300202
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