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DFT Calculations for Mössbauer Properties on Dinuclear Center Models of the Resting Oxidized Cytochrome c Oxidase

Chemphyschem, 2022-04, Vol.23 (7), p.e202100831-n/a

2022

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Coupled transport of electrons and protons in a bacterial cytochrome c oxidase-DFT calculated properties compared to structures and spectroscopies

Physical chemistry chemical physics : PCCP, 2020-12, Vol.22 (46), p.26652-26668

2020

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The structural and optical properties of mg-doped zinc oxide multiquantum barrier thin films

International journal of modern physics. B, Condensed matter physics, statistical physics, applied physics, 2020-01, Vol.34 (1n03), p.2040020

2020

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Linking Chemical Electron–Proton Transfer to Proton Pumping in Cytochrome c Oxidase: Broken-Symmetry DFT Exploration of Intermediates along the Catalytic Reaction Pathway of the Iron–Copper Dinuclear Complex

Inorganic chemistry, 2014-07, Vol.53 (13), p.6458-6472

2014

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Reaction pathways, proton transfer, and proton pumping in ba3 class cytochrome c oxidase: perspectives from DFT quantum chemistry and molecular dynamics

Frontiers in chemistry, 2023, Vol.11, p.1186022-1186022

2023

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Water exit pathways and proton pumping mechanism in B-type cytochrome c oxidase from molecular dynamics simulations

Biochimica et biophysica acta, 2016-09, Vol.1857 (9), p.1594-1606

2016

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DFT Fea3–O/O–O Vibrational Frequency Calculations over Catalytic Reaction Cycle States in the Dinuclear Center of Cytochrome c Oxidase

Inorganic chemistry, 2019-10, Vol.58 (20), p.13933-13944

2019

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A broken-symmetry density functional study of structures, energies, and protonation states along the catalytic O-O bond cleavage pathway in ba3 cytochrome c oxidase from Thermus thermophilus

Physical chemistry chemical physics : PCCP, 2016-08, Vol.18 (31), p.21162-21171

2016

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Structural and electrical properties of ZnO/Zn0.85Mg0.15O thin film prepared by pulsed laser deposition

International journal of modern physics. B, Condensed matter physics, statistical physics, applied physics, 2017-07, Vol.31 (16-19), p.1744056

2017

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Photoelectrocatalytic degradation of Rhodamine B using graphene and titanium dioxide composite catalyst

International journal of modern physics. B, Condensed matter physics, statistical physics, applied physics, 2017-07, Vol.31 (16-19), p.1744098

2017

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Influence of principal stress rotation of unequal tensile and compressive stress amplitudes on characteristics of soft clay

Journal of mountain science, 2017-02, Vol.14 (2), p.369-381

2017

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A Fluorogenic Aryl Fluorosulfate for Intraorganellar Transthyretin Imaging in Living Cells and in Caenorhabditis elegans

Journal of the American Chemical Society, 2015-06, Vol.137 (23), p.7404-7414

2015

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Density functional study for the bridged dinuclear center based on a high-resolution X-ray crystal structure of ba3 cytochrome c oxidase from Thermus thermophilus

Inorganic chemistry, 2013-12, Vol.52 (24), p.14072-14088

2013

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Effects of Mg doping content and annealing temperature on the structural properties of Zn1-xMgxO thin films prepared by radio-frequency magnetron sputtering

Optoelectronics letters, 2017, Vol.13 (1), p.42-44

2017

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The ZnO p-n homojunctions modulated by ZnMgO barriers

AIP advances, 2015-04, Vol.5 (4), p.047104-047104-7

2015

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One-dimensional diffusion of vacancies on an Sr/Si(100)-c(2×4) surface

Chinese physics B, 2013-06, Vol.22 (6), p.66801-1-066801-4

2013

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Nitrogen doped cuprous oxide as low cost hole-transporting material for perovskite solar cells

Scripta materialia, 2018-08, Vol.153, p.104-108

2018

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Data for molecular dynamics simulations of B-type cytochrome c oxidase with the Amber force field

Data in brief, 2016-09, Vol.8, p.1209-1214

2016

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Broken Symmetry DFT Calculations/Analysis for Oxidized and Reduced Dinuclear Center in Cytochrome c Oxidase: Relating Structures, Protonation States, Energies, and Mössbauer Properties in ba3 Thermus thermophilus

Inorganic chemistry, 2015-08, Vol.54 (15), p.7272-7290

2015

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Sulfur [18F]Fluoride Exchange Click Chemistry Enabled Ultrafast Late-Stage Radiosynthesis

Journal of the American Chemical Society, 2021-03, Vol.143 (10), p.3753-3763

2021

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Measurement of underground motion at the SSRF site

Journal of synchrotron radiation, 2008-07, Vol.15 (4), p.350-354

2008

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SAPT: a synchrotron-based proton therapy facility in Shanghai

Nuclear science and techniques, 2023-10, Vol.34 (10), Article 148

2023

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Positive association between serum apolipoprotein M levels and hepatitis B virus DNA load in HBeAg-negative chronic hepatitis B

Lipids in health and disease, 2016-12, Vol.15 (1), p.210-210, Article 210

2016

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Explanation of Phenomenological Characteristics in Seepage Force Concept System

Applied Mechanics and Materials, 2014-07, Vol.580-583, p.614-618

2014

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Effects of Mg doping content and annealing temperature on the structural properties of Zn1-x Mg x O thin films prepared by radio-frequency magnetron sputtering

Optoelectronics letters, 2017-01, Vol.13 (1), p.42-44

2017

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DFT Calculations for Mössbauer Properties on Dinuclear Center Models of the Resting Oxidized Cytochrome c Oxidase

Coupled transport of electrons and protons in a bacterial cytochrome c oxidase-DFT calculated properties compared to structures and spectroscopies

The structural and optical properties of mg-doped zinc oxide multiquantum barrier thin films

Linking Chemical Electron–Proton Transfer to Proton Pumping in Cytochrome c Oxidase: Broken-Symmetry DFT Exploration of Intermediates along the Catalytic Reaction Pathway of the Iron–Copper Dinuclear Complex

Reaction pathways, proton transfer, and proton pumping in ba3 class cytochrome c oxidase: perspectives from DFT quantum chemistry and molecular dynamics

Water exit pathways and proton pumping mechanism in B-type cytochrome c oxidase from molecular dynamics simulations

DFT Fea3–O/O–O Vibrational Frequency Calculations over Catalytic Reaction Cycle States in the Dinuclear Center of Cytochrome c Oxidase

A broken-symmetry density functional study of structures, energies, and protonation states along the catalytic O-O bond cleavage pathway in ba3 cytochrome c oxidase from Thermus thermophilus

Structural and electrical properties of ZnO/Zn0.85Mg0.15O thin film prepared by pulsed laser deposition

Photoelectrocatalytic degradation of Rhodamine B using graphene and titanium dioxide composite catalyst

Influence of principal stress rotation of unequal tensile and compressive stress amplitudes on characteristics of soft clay

A Fluorogenic Aryl Fluorosulfate for Intraorganellar Transthyretin Imaging in Living Cells and in Caenorhabditis elegans

Density functional study for the bridged dinuclear center based on a high-resolution X-ray crystal structure of ba3 cytochrome c oxidase from Thermus thermophilus

Effects of Mg doping content and annealing temperature on the structural properties of Zn1-xMgxO thin films prepared by radio-frequency magnetron sputtering

The ZnO p-n homojunctions modulated by ZnMgO barriers

One-dimensional diffusion of vacancies on an Sr/Si(100)-c(2×4) surface

Nitrogen doped cuprous oxide as low cost hole-transporting material for perovskite solar cells

Data for molecular dynamics simulations of B-type cytochrome c oxidase with the Amber force field

Broken Symmetry DFT Calculations/Analysis for Oxidized and Reduced Dinuclear Center in Cytochrome c Oxidase: Relating Structures, Protonation States, Energies, and Mössbauer Properties in ba3 Thermus thermophilus

Sulfur [18F]Fluoride Exchange Click Chemistry Enabled Ultrafast Late-Stage Radiosynthesis

Measurement of underground motion at the SSRF site

SAPT: a synchrotron-based proton therapy facility in Shanghai

Positive association between serum apolipoprotein M levels and hepatitis B virus DNA load in HBeAg-negative chronic hepatitis B

Explanation of Phenomenological Characteristics in Seepage Force Concept System

Effects of Mg doping content and annealing temperature on the structural properties of Zn1-x Mg x O thin films prepared by radio-frequency magnetron sputtering

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