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Ferroelectrics Volume 150, 1993 - Issue 1
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Original Articles

Pseudopotential periodic hartree-fock investigation of potassium dihydrogen phosphate

B. Silvi Laboratoire de Dynamique des Interactions Moleculaires (UPR 271), Universite Pierre et Marie Curie, Paris Cedex 05, France
,
Z. Latajka Laboratoire de Dynamique des Interactions Moleculaires (UPR 271), Universite Pierre et Marie Curie, Paris Cedex 05, France; Institute of Chemistry, University of Wrocław, Wrocław, Poland
&
H. Ratajczak Laboratoire de Dynamique des Interactions Moleculaires (UPR 271), Universite Pierre et Marie Curie, Paris Cedex 05, France; Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Wrocław, Poland
Pages 303-311 | Published online: 15 Mar 2011

Citations (12)

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Read on this site (1)

V.A. Abalmassov, A.M. Pugachev & N.V. Surovtsev. (2012) Order Parameter Dynamics and Hydrogen Bond Potential in DKDP. Ferroelectrics 440:1, pages 113-118.
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Articles from other publishers (11)

Bernard Silvi, Esmaïl Alikhani & Henryk Ratajczak. (2020) Towards an unified chemical model of secondary bonding. Journal of Molecular Modeling 26:3.
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S. P. Dolin, T. Yu. Mikhailova, N. N. Breslavskaya & A. A. Levin. (2016) On the possibility of quantum-chemical cluster approach to the description of structural phase transition in H-bonded materials on the example of KDP. International Journal of Quantum Chemistry 116:3, pages 202-210.
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Bernard Silvi & Henryk Ratajczak. (2016) Hydrogen bonding and delocalization in the ELF analysis approach. Physical Chemistry Chemical Physics 18:39, pages 27442-27449.
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S. P. Dolin, T. Yu. Mikhailova & N. N. Breslavskaya. (2014) Contribution of vibronic interactions to the thermodynamics of the phase transition in H-bonded ferroelectrics: Proton-lattice coupling effects in crystals of the KDP family. Russian Journal of Physical Chemistry A 88:11, pages 1872-1881.
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Xingxing Jiang, Lei Kang, Siyang Luo, Pifu Gong, Ming-Hsien Lee & Zheshuai Lin. (2014) Development of nonlinear optical materials promoted by density functional theory simulations. International Journal of Modern Physics B 28:27, pages 1430018.
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V. A. Abalmassov, A. M. Pugachev & N. V. Surovtsev. (2013) Dynamics of the order parameter and the potential of the hydrogen bond in a ferroelectric DKDP crystal. Journal of Experimental and Theoretical Physics 116:2, pages 280-285.
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Chuangtian Chen, Takatamo Sasaki, Rukang Li, Yincheng Wu, Zheshuai Lin, Yusuke Mori, Zhangui Hu, Jiyang Wang, Satoshi Uda, Masashi Yoshimura & Yushi Kaneda. 2012. Nonlinear Optical Borate Crystals. Nonlinear Optical Borate Crystals 15 115 .
S. O. Kucheyev, C. Bostedt, T. van Buuren, T. M. Willey, T. A. Land, L. J. Terminello, T. E. Felter, A. V. Hamza, S. G. Demos & A. J. Nelson. (2004) Electronic structure of studied by soft x-ray absorption and emission spectroscopies . Physical Review B 70:24.
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Zheshuai Lin, Zhizhong Wang, Chungtian Chen & Ming-Hsien Lee. (2003) Mechanism of linear and nonlinear optical effects of KDP and urea crystals. The Journal of Chemical Physics 118:5, pages 2349-2356.
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Qing Zhang, F. Chen, Nicholas Kioussis, S. G. Demos & H. B. Radousky. (2001) Ab initio study of the electronic and structural properties of the ferroelectric transition in . Physical Review B 65:2.
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Bernard Silvi, Armando Beltrán & Juan Andrés. (1997) Periodic Hartree-Fock calculation of the A1g (Tz) and Eg (Tx, Ty) phonon modes in ice VIII. Journal of Molecular Structure 436-437, pages 443-449.
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