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Calculated vibration spectrum of calcium hexahydroxodizincate dihydrate (qatranaite)

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2024-10, Vol.318, p.124414, Article 124414

2024

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Potential of nanostructured carbon materials for iodine detection in realistic environments revealed by first-principles calculations

Physical chemistry chemical physics : PCCP, 2023-10, Vol.25 (39), p.26461-26474

2023

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First-Principles Study of Hydrogen Dynamics in Monoclinic TiO

Journal of physical chemistry. C, 2023-06, Vol.127 (25), p.11787-11800

2023

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Terahertz-to-infrared converters for imaging the human skin cancer: challenges and feasibility

Journal of medical imaging (Bellingham, Wash.), 2023-03, Vol.10 (2), p.023501-023501

2023

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Theoretical Mapping of Interaction between Alkali Metal Atoms Adsorbed on Graphene‐Like BC3 Monolayer

physica status solidi (b), 2021-08, Vol.258 (8), p.n/a

2021

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First-principles investigation of CO2, CO, and O2 adsorptions on the (001)-reconstructed surfaces of CsPbX3 (X = Cl, Br, and I) perovskites

Surfaces and interfaces, 2021-08, Vol.25 (6), p.101264, Article 101264

2021

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Theoretical Mapping of Interaction between Alkali Metal Atoms Adsorbed on Graphene‐Like BC 3 Monolayer

physica status solidi (b), 2021-08, Vol.258 (8)

2021

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Quantum simulation of the ground-state Stark effect in small molecules: a case study using IBM Q

Soft computing (Berlin, Germany), 2021-05, Vol.25 (9), p.6807-6830

2021

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Identification of the site for biopsy in oral mucosa cancer diagnostics

Science and Innovations in Medicine, 2020-10, Vol.5 (3), p.181-185

2020

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Siesta: Recent developments and applications

The Journal of chemical physics, 2020-05, Vol.152 (20), p.204108-204108

2020

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Effects of Copper Substitution by Alkali Metals on the Properties of Chalcopyrites for Tandem Applications: Insights from Theory

Journal of physical chemistry. C, 2020-05, Vol.124 (19), p.10353-10366

2020

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Multi-phonon (percolation) behavior and local clustering of CdxZn1−xSe-cubic mixed crystals (x ≤ 0.3): A Raman–ab initio study

Journal of applied physics, 2019-09, Vol.126 (10)

2019

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Comparative study of structural and electronic properties of GaSe and InSe polytypes

The Journal of chemical physics, 2018-08, Vol.149 (5), p.054106-054106

2018

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Combined power generationby thermal and wind power plants

Energy-Safety and Energy-Economy, 2017-06, Vol.3, p.8-14

2017

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A terahertz-vibration to terahertz-radiation converter based on gold nanoobjects: a feasibility study

Beilstein journal of nanotechnology, 2016, Vol.7 (28), p.983-989

2016

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Photo-Thermo-Refractive Glasses: Effects of Dopants on Their Ultraviolet Absorption Spectra

International journal of applied glass science, 2015-06, Vol.6 (2), p.109-127

2015

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Effects of silver ion exchange and subsequent treatments on the UV–VIS spectra of silicate glasses. I. Undoped, CeO2-doped, and (CeO2+Sb2O3)-codoped photo-thermo-refractive matrix glasses

Journal of non-crystalline solids, 2013-10, Vol.378, p.213-226

2013

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Calculated vibration spectrum of monoclinic Cu 2 SnSe 3 in comparison with kesterite-type Cu 2 ZnSnSe 4

Physica status solidi. A, Applications and materials science, 2013-07, Vol.210 (7), p.1332-1335

2013

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Calculated vibration spectrum of monoclinic Cu2SnSe3 in comparison with kesterite-type Cu2ZnSnSe4

Physica status solidi. A, Applications and materials science, 2013-07, Vol.210 (7), p.1332-1335

2013

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Calculated vibration spectrum of monoclinic Cu 2 SnSe 3 in comparison with kesterite-type Cu 2 ZnSnSe 4: Calculated phonons in Cu 2 SnSe 3 compared to Cu 2 ZnSnSe 4

Physica status solidi. A, Applications and materials science, 2013-07, Vol.210 (7), p.1332-1335

2013

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Calculated vibration spectrum of monoclinic Cu sub(2) Sn Se sub(3) in comparison with kesterite-type Cu sub(2) Zn Sn Se sub(4)

Physica status solidi. A, Applications and materials science, 2013-07, Vol.210 (7), p.1332-1335

2013

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Electronic structure and soft-X-ray-induced photoreduction studies of iron-based magnetic polyoxometalates of type {(M)M5}12Fe(III)30 (M = Mo(VI), W(VI))

Dalton transactions : an international journal of inorganic chemistry, 2013-06, Vol.42 (22), p.7924-7935

2013

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Electronic structure and soft-X-ray-induced photoreduction studies of iron-based magnetic polyoxometalates of type \(M)M-5\(12)Fe-30(III) (M = Mo-VI, W-VI)

Dalton transactions : an international journal of inorganic chemistry, 2013, Vol.42 (22), p.7924-7935

2013

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Electronic structure and soft-X-ray-induced photoreduction studies of iron-based magnetic polyoxometalates of type {(M)M5}12FeIII30 (M = MoVI, WVI)

Dalton transactions : an international journal of inorganic chemistry, 2013, Vol.42 (22), p.7924-7935

2013

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Calculated vibration spectrum of calcium hexahydroxodizincate dihydrate (qatranaite)

Potential of nanostructured carbon materials for iodine detection in realistic environments revealed by first-principles calculations

First-Principles Study of Hydrogen Dynamics in Monoclinic TiO

Terahertz-to-infrared converters for imaging the human skin cancer: challenges and feasibility

Theoretical Mapping of Interaction between Alkali Metal Atoms Adsorbed on Graphene‐Like BC3 Monolayer

First-principles investigation of CO2, CO, and O2 adsorptions on the (001)-reconstructed surfaces of CsPbX3 (X = Cl, Br, and I) perovskites

Theoretical Mapping of Interaction between Alkali Metal Atoms Adsorbed on Graphene‐Like BC 3 Monolayer

Quantum simulation of the ground-state Stark effect in small molecules: a case study using IBM Q

Identification of the site for biopsy in oral mucosa cancer diagnostics

Siesta: Recent developments and applications

S iesta : Recent developments and applications

Effects of Copper Substitution by Alkali Metals on the Properties of Chalcopyrites for Tandem Applications: Insights from Theory

Multi-phonon (percolation) behavior and local clustering of CdxZn1−xSe-cubic mixed crystals (x ≤ 0.3): A Raman–ab initio study

Comparative study of structural and electronic properties of GaSe and InSe polytypes

Combined power generationby thermal and wind power plants

A terahertz-vibration to terahertz-radiation converter based on gold nanoobjects: a feasibility study

Photo-Thermo-Refractive Glasses: Effects of Dopants on Their Ultraviolet Absorption Spectra

Effects of silver ion exchange and subsequent treatments on the UV–VIS spectra of silicate glasses. I. Undoped, CeO2-doped, and (CeO2+Sb2O3)-codoped photo-thermo-refractive matrix glasses

Calculated vibration spectrum of monoclinic Cu 2 SnSe 3 in comparison with kesterite-type Cu 2 ZnSnSe 4

Calculated vibration spectrum of monoclinic Cu2SnSe3 in comparison with kesterite-type Cu2ZnSnSe4

Calculated vibration spectrum of monoclinic Cu 2 SnSe 3 in comparison with kesterite-type Cu 2 ZnSnSe 4: Calculated phonons in Cu 2 SnSe 3 compared to Cu 2 ZnSnSe 4

Calculated vibration spectrum of monoclinic Cu sub(2) Sn Se sub(3) in comparison with kesterite-type Cu sub(2) Zn Sn Se sub(4)

Electronic structure and soft-X-ray-induced photoreduction studies of iron-based magnetic polyoxometalates of type {(M)M5}12Fe(III)30 (M = Mo(VI), W(VI))

Electronic structure and soft-X-ray-induced photoreduction studies of iron-based magnetic polyoxometalates of type \(M)M-5\(12)Fe-30(III) (M = Mo-VI, W-VI)

Electronic structure and soft-X-ray-induced photoreduction studies of iron-based magnetic polyoxometalates of type {(M)M5}12FeIII30 (M = MoVI, WVI)

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