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Proton strings and rings in atypical nucleation of ferroelectricity in ice

Proceedings of the National Academy of Sciences - PNAS, 2021-01, Vol.118 (1), p.1-8

2021

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Path integral Monte Carlo simulations of the geometrical effects in KDP crystals

Condensed matter physics, 2022-01, Vol.25 (4), p.43708

2022

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Ab initio study of the structure, isotope effects, and vibrational properties in KDP crystals

Physical review. B, 2018-09, Vol.98 (10), p.104108, Article 104108

2018

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Origin of antiferroelectricity in NH4H2PO4 from first principles

Physical review letters, 2007-06, Vol.98 (26), p.267601-267601

2007

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Ab initio and shell model studies of structural, thermoelastic and vibrational properties of SnO2 under pressure

Journal of physics. Condensed matter, 2013-04, Vol.25 (13), p.135404-135404

2013

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Ab initio studies of the para- and antiferroelectric structures and local polarized configurations in NH4H2PO4

The Journal of chemical physics, 2011-08, Vol.135 (8), p.084504-084504

2011

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Modeling the Magnetic Properties of 1D Arrays of FePc Molecules

Journal of physical chemistry. C, 2024-05, Vol.128 (17), p.7266-7274

2024

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A shell model for the H-bonded ferroelectric KH2PO4

Physica. B, Condensed matter, 2009-10, Vol.404 (18), p.2736-2738

2009

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Coexistence of ferroelectric and antiferroelectric microregions in the paraelectric phase of NH4H2PO4 (ADP)

Physica. B, Condensed matter, 2009-10, Vol.404 (18), p.2749-2750

2009

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Slater and Takagi defects in KH2PO4 from first principles

Physical review. B, Condensed matter and materials physics, 2005-09, Vol.72 (10), p.104104.1-104104.8

2005

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Shell-model and first-principles calculations of vibrational, structural and ferroelectric properties of KH_2PO_4

Condensed matter physics, 2022-12, Vol.25 (4), p.43709

2022

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Shell Model Study of Local and Global Energy Barriers in KDP

Ferroelectrics, 2010-01, Vol.401 (1), p.103-109

2010

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Shell-model description of lattice dynamical properties of MgH2

Journal of physics. Condensed matter, 2005-11, Vol.17 (44), p.7133-7141

2005

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Phonons, Instabilities and Origin of Polarization in KDP Crystals

Ferroelectrics, 2010-01, Vol.401 (1), p.200-206

2010

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Shell-model and first-principles calculations of vibrational, structural and ferroelectric properties of KH2PO4

Condensed matter physics, 2022, Vol.25 (4), p.43709

2022

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Ab initio study of the one-dimensional H-bonded ferroelectric CsH sub(2) PO super(4)

Physical review. B, 2016-04, Vol.93 (13)

2016

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Ab initio study of the one-dimensional H-bonded ferroelectric CsH 2 PO 4

Physical review. B, 2016-04, Vol.93 (13), Article 134112

2016

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Ab Initio Study of the Microscopic Mechanism Leading to Antiferroelectricity in NH4H2PO4 (ADP)

Ferroelectrics, 2008-01, Vol.363 (1), p.13-20

2008

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Ab initio studies of the para- and antiferroelectric structures and local polarized configurations in NH 4 H 2 PO 4

The Journal of chemical physics, 2011-08, Vol.135 (8), p.084504-084504-8

2011

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Ab initio and shell model studies of structural, thermoelastic and vibrational properties of SnO sub(2) under pressure

Journal of physics. Condensed matter, 2013-04, Vol.25 (13), p.1-11

2013

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Ab initio and shell model studies of structural, thermoelastic and vibrational properties of SnO 2 under pressure

Journal of physics. Condensed matter, 2013-04, Vol.25 (13), p.135404

2013

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First-Principles Determination of Slater and Takagi Defect Properties in KDP

Ferroelectrics, 2006-05, Vol.333 (1), p.47-56

2006

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Coexistence of ferroelectric and antiferroelectric microregions in the paraelectric phase of NH(4)H(2)PO(4) (ADP)

Physica. B, Condensed matter, 2009-10, Vol.404 (18), p.2749-2750

2009

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Coexistence of ferroelectric and antiferroelectric microregions in the paraelectric phase of NH 4H 2PO 4 (ADP)

Physica. B, Condensed matter, 2009, Vol.404 (18), p.2749-2750

2009

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Ab-Initio Investigations of Pressure Effects on the Ferroelectric Instabilities in KDP and DKDP

Ferroelectrics, 2004-01, Vol.301 (1), p.61-64

2004

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Proton strings and rings in atypical nucleation of ferroelectricity in ice

Path integral Monte Carlo simulations of the geometrical effects in KDP crystals

Ab initio study of the structure, isotope effects, and vibrational properties in KDP crystals

Origin of antiferroelectricity in NH4H2PO4 from first principles

Ab initio and shell model studies of structural, thermoelastic and vibrational properties of SnO2 under pressure

Ab initio studies of the para- and antiferroelectric structures and local polarized configurations in NH4H2PO4

Modeling the Magnetic Properties of 1D Arrays of FePc Molecules

A shell model for the H-bonded ferroelectric KH2PO4

Coexistence of ferroelectric and antiferroelectric microregions in the paraelectric phase of NH4H2PO4 (ADP)

Slater and Takagi defects in KH2PO4 from first principles

Shell-model and first-principles calculations of vibrational, structural and ferroelectric properties of KH_2PO_4

Shell Model Study of Local and Global Energy Barriers in KDP

Shell-model description of lattice dynamical properties of MgH2

Phonons, Instabilities and Origin of Polarization in KDP Crystals

Shell-model and first-principles calculations of vibrational, structural and ferroelectric properties of KH2PO4

Ab initio study of the one-dimensional H-bonded ferroelectric CsH sub(2) PO super(4)

Ab initio study of the one-dimensional H-bonded ferroelectric CsH 2 PO 4

Ab Initio Study of the Microscopic Mechanism Leading to Antiferroelectricity in NH4H2PO4 (ADP)

Ab initio studies of the para- and antiferroelectric structures and local polarized configurations in NH 4 H 2 PO 4

Ab initio and shell model studies of structural, thermoelastic and vibrational properties of SnO sub(2) under pressure

Ab initio and shell model studies of structural, thermoelastic and vibrational properties of SnO 2 under pressure

First-Principles Determination of Slater and Takagi Defect Properties in KDP

Coexistence of ferroelectric and antiferroelectric microregions in the paraelectric phase of NH(4)H(2)PO(4) (ADP)

Coexistence of ferroelectric and antiferroelectric microregions in the paraelectric phase of NH 4H 2PO 4 (ADP)

Ab-Initio Investigations of Pressure Effects on the Ferroelectric Instabilities in KDP and DKDP

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