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Monitoring Mechanical, Electronic, and Catalytic Trends in a Titanium Metal Organic Framework Under the Influence of Guest-Molecule Encapsulation Using Density Functional Theory

Scientific reports, 2018-11, Vol.8 (1), p.16651-11, Article 16651

2018

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Induced Magnetism of the MoS2 Monolayer during the Transition Metal (Fe/Ni) Bombardment Process: A Nonadiabatic Ab Initio Collision Dynamics Investigation

ACS omega, 2020-07, Vol.5 (26), p.16139-16148

2020

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Dissociation of hydrogen peroxide in water and methanol through a biased molecular dynamics investigation

Journal of computational chemistry, 2021-07, Vol.42 (19), p.1344-1353

2021

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Enhancing the remarkable adsorption of Pb2+ in a series of sulfonic-functionalized Zr-based MOFs: a combined theoretical and experimental study for elucidating the adsorption mechanism

Dalton transactions : an international journal of inorganic chemistry, 2022-05, Vol.51 (19), p.7503-7516

2022

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Enhancing the remarkable adsorption of Pb in a series of sulfonic-functionalized Zr-based MOFs: a combined theoretical and experimental study for elucidating the adsorption mechanism

Dalton transactions : an international journal of inorganic chemistry, 2022-05, Vol.51 (19), p.753-7516

2022

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A proton transfer mechanism along the PO 4 anion chain in the [Zn(HPO 4 )(H 2 PO 4 )] 2- coordination polymer

Physical chemistry chemical physics : PCCP, 2019-08, Vol.21 (34), p.18605-18611

2019

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Enhancing the remarkable adsorption of Pb 2+ in a series of sulfonic-functionalized Zr-based MOFs: a combined theoretical and experimental study for elucidating the adsorption mechanism

Dalton transactions : an international journal of inorganic chemistry, 2022-05, Vol.51 (19), p.7503-7516

2022

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Mechanism of proton transport in water clusters and the effect of electric fields: A DFT study

Current Applied Physics, 2021, 25(0), , pp.62-69

2021

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A proton transfer mechanism along the PO4 anion chain in the [Zn(HPO4)(H2PO4)]2− coordination polymer

Physical chemistry chemical physics : PCCP, 2019-01, Vol.21 (34), p.18605-18611

2019

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Effect of Elasticity of the MoS2 Surface on Li Atom Bouncing and Migration: Mechanism from Ab Initio Molecular Dynamic Investigations

Journal of physical chemistry. C, 2017-01, Vol.121 (2), p.1329-1338

2017

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Effect of hydrogen-bonding networks in water on the proton conductivity properties of metal–organic frameworks

Journal of science. Advanced materials and devices, 2021-12, Vol.6 (4), p.509-515

2021

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Induced Magnetism of the MoS 2 Monolayer during the Transition Metal (Fe/Ni) Bombardment Process: A Nonadiabatic Ab Initio Collision Dynamics Investigation

ACS omega, 2020-07, Vol.5 (26), p.16139-16148

2020

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A new porphyrinic vanadium-based MOF constructed from infinite V(OH)O 4 chains: syntheses, characterization and photoabsorption properties

New journal of chemistry, 2022-01, Vol.46 (2), p.632-641

2022

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Reaction probability and kinetics of water splitting on the penta-NiAs monolayer from an molecular dynamics investigation

Physical chemistry chemical physics : PCCP, 2020-08, Vol.22 (32), p.18149-18154

2020

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Reaction probability and kinetics of water splitting on the penta-NiAs 2 monolayer from an ab initio molecular dynamics investigation

Physical chemistry chemical physics : PCCP, 2020-08, Vol.22 (32), p.18149-18154

2020

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Reaction probability and kinetics of water splitting on the penta-NiAs2 monolayer from an ab initio molecular dynamics investigation

Physical chemistry chemical physics : PCCP, 2020-01, Vol.22 (32), p.18149-18154

2020

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A proton transfer mechanism along the PO anion chain in the [Zn(HPO)(HPO)] coordination polymer

Physical chemistry chemical physics : PCCP, 2019-08, Vol.21 (34), p.1865-18611

2019

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A new porphyrinic vanadium-based MOF constructed from infinite V(OH)O chains: syntheses, characterization and photoabsorption properties

New journal of chemistry, 2022-01, Vol.46 (2), p.632-641

2022

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A new porphyrinic vanadium-based MOF constructed from infinite V(OH)O4 chains: syntheses, characterization and photoabsorption properties

New journal of chemistry, 2022-01, Vol.46 (2), p.632-641

2022

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Effect of Elasticity of the MoS 2 Surface on Li Atom Bouncing and Migration: Mechanism from Ab Initio Molecular Dynamic Investigations

Journal of physical chemistry. C, 2017-01, Vol.121 (2), p.1329-1338

2017

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Development of an Emergency Department Safety Checklist through a global consensus process

Internal and emergency medicine, 2024-10

2024

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Expression of mucins in the mucosal surface of small intestines in 1 week-old pigs

Journal of Veterinary Medical Science, 2010, Vol.72(2), pp.245-247

2010

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Association of tumor necrosis factor-alpha with fever and pulmonary lesion score in pigs experimentally infected with swine influenza virus subtype H1N2

Journal of Veterinary Medical Science, 2009, Vol.71(5), pp.611-616

2009

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Using humans as sensors: An estimation-theoretic perspective

IPSN-14 Proceedings of the 13th International Symposium on Information Processing in Sensor Networks, 2014, p.35-46

2014

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Identification of interleukin-1, tumor necrosis factor-alpha, and interleukin-6 expression in lungs from pigs naturally infected with Mycoplasma hyopneumoniae by in situ hybridization

Journal of Veterinary Medical Science, 2009, Vol.71(4), pp.441-445

2009

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Monitoring Mechanical, Electronic, and Catalytic Trends in a Titanium Metal Organic Framework Under the Influence of Guest-Molecule Encapsulation Using Density Functional Theory

Induced Magnetism of the MoS2 Monolayer during the Transition Metal (Fe/Ni) Bombardment Process: A Nonadiabatic Ab Initio Collision Dynamics Investigation

Dissociation of hydrogen peroxide in water and methanol through a biased molecular dynamics investigation

Enhancing the remarkable adsorption of Pb2+ in a series of sulfonic-functionalized Zr-based MOFs: a combined theoretical and experimental study for elucidating the adsorption mechanism

Enhancing the remarkable adsorption of Pb in a series of sulfonic-functionalized Zr-based MOFs: a combined theoretical and experimental study for elucidating the adsorption mechanism

A proton transfer mechanism along the PO 4 anion chain in the [Zn(HPO 4 )(H 2 PO 4 )] 2- coordination polymer

Enhancing the remarkable adsorption of Pb 2+ in a series of sulfonic-functionalized Zr-based MOFs: a combined theoretical and experimental study for elucidating the adsorption mechanism

Mechanism of proton transport in water clusters and the effect of electric fields: A DFT study

A proton transfer mechanism along the PO4 anion chain in the [Zn(HPO4)(H2PO4)]2− coordination polymer

Effect of Elasticity of the MoS2 Surface on Li Atom Bouncing and Migration: Mechanism from Ab Initio Molecular Dynamic Investigations

Effect of hydrogen-bonding networks in water on the proton conductivity properties of metal–organic frameworks

Induced Magnetism of the MoS 2 Monolayer during the Transition Metal (Fe/Ni) Bombardment Process: A Nonadiabatic Ab Initio Collision Dynamics Investigation

A new porphyrinic vanadium-based MOF constructed from infinite V(OH)O 4 chains: syntheses, characterization and photoabsorption properties

Reaction probability and kinetics of water splitting on the penta-NiAs monolayer from an molecular dynamics investigation

Reaction probability and kinetics of water splitting on the penta-NiAs 2 monolayer from an ab initio molecular dynamics investigation

Reaction probability and kinetics of water splitting on the penta-NiAs2 monolayer from an ab initio molecular dynamics investigation

A proton transfer mechanism along the PO anion chain in the [Zn(HPO)(HPO)] coordination polymer

A new porphyrinic vanadium-based MOF constructed from infinite V(OH)O chains: syntheses, characterization and photoabsorption properties

A new porphyrinic vanadium-based MOF constructed from infinite V(OH)O4 chains: syntheses, characterization and photoabsorption properties

Effect of Elasticity of the MoS 2 Surface on Li Atom Bouncing and Migration: Mechanism from Ab Initio Molecular Dynamic Investigations

Development of an Emergency Department Safety Checklist through a global consensus process

Expression of mucins in the mucosal surface of small intestines in 1 week-old pigs

Association of tumor necrosis factor-alpha with fever and pulmonary lesion score in pigs experimentally infected with swine influenza virus subtype H1N2

Using humans as sensors: An estimation-theoretic perspective

Identification of interleukin-1, tumor necrosis factor-alpha, and interleukin-6 expression in lungs from pigs naturally infected with Mycoplasma hyopneumoniae by in situ hybridization

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