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Density functional theory studies of HCOOH decomposition on Pd(111)

Surface science, 2016-08, Vol.650 (C), p.111-120

2016

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Recent advances in functionalized micro and mesoporous carbon materials: synthesis and applications

Chemical Society reviews, 2018-01, Vol.47 (8), p.268-2721

2018

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Trends in Formic Acid Decomposition on Model Transition Metal Surfaces: A Density Functional Theory study

ACS catalysis, 2014-12, Vol.4 (12), p.4434-4445

2014

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On the Structure Sensitivity of Formic Acid Decomposition on Cu Catalysts

Topics in catalysis, 2016-10, Vol.59 (17-18), p.1580-1588

2016

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Accurate determination of solvation free energies of neutral organic compounds from first principles

Nature communications, 2022-01, Vol.13 (1), p.414-414, Article 414

2022

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Towards first-principles molecular design of liquid crystal-based chemoresponsive systems

Nature communications, 2016-11, Vol.7 (1), p.13338-13338, Article 13338

2016

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HCOOH decomposition on Pt(111): A DFT study

Surface science, 2016-06, Vol.648 (C), p.201-211

2016

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DFT studies of bulk and surfaces of the electrocatalyst cobalt phosphide CoP2

Chemical physics letters, 2019, Vol.737, p.100008, Article 100008

2019

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The Effect of Uranium Cations on the Redox Properties of CeO2 Within the Context of Hydrogen Production from Water

Topics in catalysis, 2015-03, Vol.58 (2-3), p.143-148

2015

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Structure Sensitivity of Formic Acid Electrooxidation on Transition Metal Surfaces: A First-Principles Study

Journal of the Electrochemical Society, 2018, Vol.165 (15), p.J3109-J3121

2018

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On the structure sensitivity of and CO coverage effects on formic acid decomposition on Pd surfaces

Surface science, 2021-07, Vol.709 (C), p.121846, Article 121846

2021

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Density functional theory studies of HCOOH decomposition on Pd(111)

Surface science, 2015-12, Vol.650 (C)

2015

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HCOOH decomposition on Pt(111): A DFT study

Surface science, 2015-10, Vol.648 (C)

2015

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On the structure sensitivity of and CO coverage effects on formic acid decomposition on Pd surfaces

Surface science, 2021-03, Vol.709 (C)

2021

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Insights into the adsorption of CH2BrF on anatase TiO2 (101) surface through DFT modelling

Computational materials science, 2014-01, Vol.81, p.556-560

2014

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A Coverage Self-Consistent Microkinetic Model for Vapor-Phase Formic Acid Decomposition over Pd/C Catalysts

ACS catalysis, 2023-03, Vol.13 (6), p.3655-3667

2023

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A DFT study of CO adsorbed on clean and hydroxylated anatase TiO 2 (001) surfaces

Molecular physics, 2009-10, Vol.107 (19), p.1997-2003

2009

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A DFT study of CO adsorbed on clean and hydroxylated anatase TiO2 (001) surfaces

Molecular physics, 2009-10, Vol.107 (19), p.1997-2003

2009

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Facile Synthesis of Palladium Right Bipyramids and Their Use as Seeds for Overgrowth and as Catalysts for Formic Acid Oxidation

Journal of the American Chemical Society, 2013-10, Vol.135 (42), p.15706-15709

2013

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Energetics and Lateral Effects of CH2ClF Adsorbed on Anatase TiO2 (101) Surface

Journal of physical chemistry. C, 2011-12, Vol.115 (48), p.23908-23912

2011

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Dynamical Mechanisms of Glutamate Receptor Gating and Sub-Conductance

Biophysical journal, 2020-02, Vol.118 (3), p.581a-581a

2020

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A Comprehensive Study of Formic Acid Oxidation on Palladium Nanocrystals with Different Types of Facets and Twin Defects

ChemCatChem, 2015-07, Vol.7 (14), p.2077-2084

2015

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Energetics and Lateral Effects of CH 2 ClF Adsorbed on Anatase TiO 2 (101) Surface

Journal of physical chemistry. C, 2011-12, Vol.115 (48), p.23908-23912

2011

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A systematic study of the influence of the slab thickness on the Lewis acidity of the rutile (1 1 0) surface: A quantum-mechanical simulation of CO adsorption

Chemical physics letters, 2009-04, Vol.473 (1), p.179-183

2009

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DFT calculations of carbon monoxide adsorbed on anatase TiO2 (101) and (001) surfaces: correlation between the binding energy and the CO stretching frequency

Molecular simulation, 2013-03, Vol.39 (3), p.245-249

2013

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Density functional theory studies of HCOOH decomposition on Pd(111)

Recent advances in functionalized micro and mesoporous carbon materials: synthesis and applications

Trends in Formic Acid Decomposition on Model Transition Metal Surfaces: A Density Functional Theory study

On the Structure Sensitivity of Formic Acid Decomposition on Cu Catalysts

Accurate determination of solvation free energies of neutral organic compounds from first principles

Towards first-principles molecular design of liquid crystal-based chemoresponsive systems

HCOOH decomposition on Pt(111): A DFT study

DFT studies of bulk and surfaces of the electrocatalyst cobalt phosphide CoP2

The Effect of Uranium Cations on the Redox Properties of CeO2 Within the Context of Hydrogen Production from Water

Structure Sensitivity of Formic Acid Electrooxidation on Transition Metal Surfaces: A First-Principles Study

On the structure sensitivity of and CO coverage effects on formic acid decomposition on Pd surfaces

Density functional theory studies of HCOOH decomposition on Pd(111)

HCOOH decomposition on Pt(111): A DFT study

On the structure sensitivity of and CO coverage effects on formic acid decomposition on Pd surfaces

Insights into the adsorption of CH2BrF on anatase TiO2 (101) surface through DFT modelling

A Coverage Self-Consistent Microkinetic Model for Vapor-Phase Formic Acid Decomposition over Pd/C Catalysts

A DFT study of CO adsorbed on clean and hydroxylated anatase TiO 2 (001) surfaces

A DFT study of CO adsorbed on clean and hydroxylated anatase TiO2 (001) surfaces

Facile Synthesis of Palladium Right Bipyramids and Their Use as Seeds for Overgrowth and as Catalysts for Formic Acid Oxidation

Energetics and Lateral Effects of CH2ClF Adsorbed on Anatase TiO2 (101) Surface

Dynamical Mechanisms of Glutamate Receptor Gating and Sub-Conductance

A Comprehensive Study of Formic Acid Oxidation on Palladium Nanocrystals with Different Types of Facets and Twin Defects

Energetics and Lateral Effects of CH 2 ClF Adsorbed on Anatase TiO 2 (101) Surface

A systematic study of the influence of the slab thickness on the Lewis acidity of the rutile (1 1 0) surface: A quantum-mechanical simulation of CO adsorption

DFT calculations of carbon monoxide adsorbed on anatase TiO2 (101) and (001) surfaces: correlation between the binding energy and the CO stretching frequency

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