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Periodic Density Functional Theory Study of the Structure, Raman Spectrum, and Mechanical Properties of Schoepite Mineral

Inorganic chemistry, 2018-04, Vol.57 (8), p.4470-4481

2018

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The Role of Water in the Adsorption of Nitro-Organic Pollutants on Activated Carbon

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-10, Vol.127 (39), p.8146-8158

2023

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Density Functional Theory Study of the Thermodynamic and Raman Vibrational Properties of γ‑UO3 Polymorph

Journal of physical chemistry. C, 2017-07, Vol.121 (27), p.14507-14516

2017

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Temperature-Dependent Gibbs Free Energies of Reaction of Uranyl-Containing Materials Based on Density Functional Theory

Journal of physical chemistry. C, 2018-03, Vol.122 (10), p.5268-5279

2018

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Thermodynamic Properties of Uranyl-Containing Materials Based on Density Functional Theory

Journal of physical chemistry. C, 2018-03, Vol.122 (10), p.5254-5267

2018

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Thermodynamic and Mechanical Properties of the Rutherfordine Mineral Based on Density Functional Theory

Journal of physical chemistry. C, 2017-03, Vol.121 (11), p.5994-6001

2017

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Theoretical Study of Copper Squarate as a Promising Adsorbent for Small Gases Pollutants

Molecules (Basel, Switzerland), 2024-07, Vol.29 (13), p.3140

2024

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Chemical Reactor Modeling of Oxy–Fuel Combustion Chamber for Semiclosed Combined Cycle

Energy & fuels, 2017-10, Vol.31 (10), p.11348-11361

2017

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Structure and infrared spectra of hydrocarbon interstellar dust analogs

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (2), p.1352-136

2017

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Periodic DFT Study of the Thermodynamic Properties and Stability of Schoepite and Metaschoepite Mineral Phases

ACS earth and space chemistry, 2019-01, Vol.3 (1), p.17-28

2019

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Mechanical anomalies in mercury oxalate and the deformation of the mercury cube coordination environment under pressure

Applied physics. A, Materials science & processing, 2021-05, Vol.127 (5), Article 395

2021

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Extreme negative mechanical phenomena in the zinc and cadmium anhydrous metal oxalates and lead oxalate dihydrate

Journal of materials science, 2020, Vol.55 (1), p.218-236

2020

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Study of the structural, vibrational and thermodynamic properties of natroxalate mineral using density functional theory

Journal of solid state chemistry, 2018-07, Vol.263, p.131-140

2018

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ZIF-75 under Pressure: Negative Linear Compressibility and Pressure-Induced Instability

Applied sciences, 2022-10, Vol.12 (20), p.10413

2022

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Negative linear compressibility in uranyl squarate monohydrate

Journal of physics. Condensed matter, 2019-05, Vol.31 (17), p.175701-175701

2019

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Infrared spectra of amorphous and crystalline urea ices

Physical chemistry chemical physics : PCCP, 2021-10, Vol.23 (39), p.22344-22351

2021

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Periodic density functional theory study of the Raman spectrum of the hydrated uranyl oxyhydroxide mineral becquerelite

Theoretical chemistry accounts, 2019-03, Vol.138 (3), p.1-8, Article 46

2019

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Infrared spectra of solid indene pure and in water ice: implications for observed IR absorptions in TMC-1

Monthly notices of the Royal Astronomical Society, 2023-06, Vol.523 (4), p.5887-5898

2023

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Structural, mechanical and vibrational study of uranyl silicate mineral soddyite by DFT calculations

Journal of solid state chemistry, 2017-09, Vol.253, p.249-257

2017

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Study of the thermal stability of studtite by in situ Raman spectroscopy and DFT calculations

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2017-03, Vol.174, p.245-253

2017

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Becquerelite mineral phase: crystal structure and thermodynamic and mechanical stability by using periodic DFT

RSC advances, 2018-01, Vol.8 (43), p.24599-24616

2018

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Mechanical Characterization of Anhydrous Microporous Aluminophosphate Materials: Tridimensional Incompressibility, Ductility, Isotropy and Negative Linear Compressibility

Solids, 2022-09, Vol.3 (3), p.457-499

2022

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Infrared and Raman vibrational modelling of β-C2S and C3S compounds

Cement and concrete research, 2023-07, Vol.169, p.107162, Article 107162

2023

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Compressing the Channels in the Crystal Structure of Copper Squarate Metal-Organic Framework

Solids, 2022-06, Vol.3 (2), p.374-384

2022

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Relatos derivados: un viaje aumentado por la urbe

Opción (Maracaibo, Venezuela), 2016 (7), p.1047-1067

2016

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Periodic Density Functional Theory Study of the Structure, Raman Spectrum, and Mechanical Properties of Schoepite Mineral

The Role of Water in the Adsorption of Nitro-Organic Pollutants on Activated Carbon

Density Functional Theory Study of the Thermodynamic and Raman Vibrational Properties of γ‑UO3 Polymorph

Temperature-Dependent Gibbs Free Energies of Reaction of Uranyl-Containing Materials Based on Density Functional Theory

Thermodynamic Properties of Uranyl-Containing Materials Based on Density Functional Theory

Thermodynamic and Mechanical Properties of the Rutherfordine Mineral Based on Density Functional Theory

Theoretical Study of Copper Squarate as a Promising Adsorbent for Small Gases Pollutants

Chemical Reactor Modeling of Oxy–Fuel Combustion Chamber for Semiclosed Combined Cycle

Structure and infrared spectra of hydrocarbon interstellar dust analogs

Periodic DFT Study of the Thermodynamic Properties and Stability of Schoepite and Metaschoepite Mineral Phases

Mechanical anomalies in mercury oxalate and the deformation of the mercury cube coordination environment under pressure

Extreme negative mechanical phenomena in the zinc and cadmium anhydrous metal oxalates and lead oxalate dihydrate

Study of the structural, vibrational and thermodynamic properties of natroxalate mineral using density functional theory

ZIF-75 under Pressure: Negative Linear Compressibility and Pressure-Induced Instability

Negative linear compressibility in uranyl squarate monohydrate

Infrared spectra of amorphous and crystalline urea ices

Periodic density functional theory study of the Raman spectrum of the hydrated uranyl oxyhydroxide mineral becquerelite

Infrared spectra of solid indene pure and in water ice: implications for observed IR absorptions in TMC-1

Structural, mechanical and vibrational study of uranyl silicate mineral soddyite by DFT calculations

Study of the thermal stability of studtite by in situ Raman spectroscopy and DFT calculations

Becquerelite mineral phase: crystal structure and thermodynamic and mechanical stability by using periodic DFT

Mechanical Characterization of Anhydrous Microporous Aluminophosphate Materials: Tridimensional Incompressibility, Ductility, Isotropy and Negative Linear Compressibility

Infrared and Raman vibrational modelling of β-C2S and C3S compounds

Compressing the Channels in the Crystal Structure of Copper Squarate Metal-Organic Framework

Relatos derivados: un viaje aumentado por la urbe

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