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Assessing Hubbard-corrected AM05+U and PBEsol+U density functionals for strongly correlated oxides CeO2 and Ce2O3

Physical chemistry chemical physics : PCCP, 2016-09, Vol.18 (38), p.26816-26826

2016

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Polymorphism and phase transitions in Na2U2O7 from density functional perturbation theory

Physical chemistry chemical physics : PCCP, 2023-06, Vol.25 (25), p.16727-16734

2023

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Relationship between crystal structure and thermo-mechanical properties of kaolinite clay: beyond standard density functional theory

Dalton transactions : an international journal of inorganic chemistry, 2015-07, Vol.44 (28), p.1255-1256

2015

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Electric Field Cancellation on Quartz by Rb Adsorbate-Induced Negative Electron Affinity

Physical review letters, 2016-04, Vol.116 (13), p.133201-133201, Article 133201

2016

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Differential electron emission from polycyclic aromatic hydrocarbon molecules under fast ion impact

Scientific reports, 2017-07, Vol.7 (1), p.5560-15, Article 5560

2017

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Discovery of the recoverable high-pressure iron oxide Fe4O5

Proceedings of the National Academy of Sciences - PNAS, 2011-10, Vol.108 (42), p.17281-17285

2011

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Electron emission from bromouracil and uracil induced by protons and radiosensitization

New journal of physics, 2022-07, Vol.24 (7), p.73035

2022

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Model representations of kerogen structures: An insight from density functional theory calculations and spectroscopic measurements

Scientific reports, 2017-08, Vol.7 (1), p.7068-7068, Article 7068

2017

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Quantum-mechanical predictions of DNA and RNA ionization by energetic proton beams

Physics in medicine & biology, 2012-04, Vol.57 (7), p.2081-2099

2012

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Water versus DNA: new insights into proton track-structure modelling in radiobiology and radiotherapy

Physics in medicine & biology, 2015-10, Vol.60 (20), p.7805-7828

2015

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Polymorphism and phase transitions in Na 2 U 2 O 7 from density functional perturbation theory

Physical chemistry chemical physics : PCCP, 2023-06, Vol.25 (25), p.16727-16734

2023

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Proton-induced single electron capture on DNA RNA bases

Physics in medicine & biology, 2012-05, Vol.57 (10), p.3039-3049

2012

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Mechanical properties of zirconium alloys and zirconium hydrides predicted from density functional perturbation theory

Dalton transactions : an international journal of inorganic chemistry, 2015-01, Vol.44 (43), p.18769-18779

2015

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Solar Energy Storage in Phase Change Materials: First-Principles Thermodynamic Modeling of Magnesium Chloride Hydrates

Journal of physical chemistry. C, 2014-03, Vol.118 (9), p.4618-4625

2014

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Low energy electrons and swift ion track structure in PADC

Radiation physics and chemistry (Oxford, England : 1993), 2015-10, Vol.115 (C), p.36-42

2015

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Worker exposure for at-reactor management of spent nuclear fuel

Radiation protection dosimetry, 2013-09, Vol.156 (3), p.386-393

Weck, Philippe F

2013

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Shock compression of vanadium at extremes: Theory and experiment

Physical review. B, 2020-11, Vol.102 (18), p.1, Article 184109

2020

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Layered uranium(VI) hydroxides: structural and thermodynamic properties of dehydrated schoepite α-UO₂(OH)

Dalton transactions : an international journal of inorganic chemistry, 2014-12, Vol.43 (45), p.17191-17199

2014

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Effect of excess Mg to control corrosion in molten MgCl2 and KCl eutectic salt mixture

Corrosion science, 2022-01, Vol.194, p.109914, Article 109914

2022

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Hydrogenation of Single-Wall Carbon Nanotubes Using Polyamine Reagents: Combined Experimental and Theoretical Study

Journal of the American Chemical Society, 2008-02, Vol.130 (7), p.2296-2303

2008

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Strain-controlled magnetic ordering in 2D carbon metamaterials

Carbon (New York), 2020-05, Vol.161 (C), p.219-223

2020

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Layered uranium(vi) hydroxides: structural and thermodynamic properties of dehydrated schoepite α-UO2(OH)2

Dalton transactions : an international journal of inorganic chemistry, 2014-12, Vol.43 (45), p.17191-17199

2014

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Nanoscale Building Blocks for the Development of Novel Proton Exchange Membrane Fuel Cells

The journal of physical chemistry. B, 2008-03, Vol.112 (11), p.3283-3286

2008

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On the mechanical stability of uranyl peroxide hydrates: implications for nuclear fuel degradation

RSC advances, 2015-09, Vol.5 (96), p.799-7997

2015

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Reverse-martensitic hcp-to-fcc transformation in technetium under shock compression

Journal of applied physics, 2018-07, Vol.124 (3)

2018

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Assessing Hubbard-corrected AM05+U and PBEsol+U density functionals for strongly correlated oxides CeO2 and Ce2O3

Polymorphism and phase transitions in Na2U2O7 from density functional perturbation theory

Relationship between crystal structure and thermo-mechanical properties of kaolinite clay: beyond standard density functional theory

Electric Field Cancellation on Quartz by Rb Adsorbate-Induced Negative Electron Affinity

Differential electron emission from polycyclic aromatic hydrocarbon molecules under fast ion impact

Discovery of the recoverable high-pressure iron oxide Fe4O5

Electron emission from bromouracil and uracil induced by protons and radiosensitization

Model representations of kerogen structures: An insight from density functional theory calculations and spectroscopic measurements

Quantum-mechanical predictions of DNA and RNA ionization by energetic proton beams

Water versus DNA: new insights into proton track-structure modelling in radiobiology and radiotherapy

Polymorphism and phase transitions in Na 2 U 2 O 7 from density functional perturbation theory

Proton-induced single electron capture on DNA RNA bases

Mechanical properties of zirconium alloys and zirconium hydrides predicted from density functional perturbation theory

Solar Energy Storage in Phase Change Materials: First-Principles Thermodynamic Modeling of Magnesium Chloride Hydrates

Low energy electrons and swift ion track structure in PADC

Worker exposure for at-reactor management of spent nuclear fuel

Shock compression of vanadium at extremes: Theory and experiment

Layered uranium(VI) hydroxides: structural and thermodynamic properties of dehydrated schoepite α-UO₂(OH)

Effect of excess Mg to control corrosion in molten MgCl2 and KCl eutectic salt mixture

Hydrogenation of Single-Wall Carbon Nanotubes Using Polyamine Reagents: Combined Experimental and Theoretical Study

Strain-controlled magnetic ordering in 2D carbon metamaterials

Layered uranium(vi) hydroxides: structural and thermodynamic properties of dehydrated schoepite α-UO2(OH)2

Nanoscale Building Blocks for the Development of Novel Proton Exchange Membrane Fuel Cells

On the mechanical stability of uranyl peroxide hydrates: implications for nuclear fuel degradation

Reverse-martensitic hcp-to-fcc transformation in technetium under shock compression

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