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DFT study of n-alkyl carboxylic acids on oxidized aluminum surfaces: From standalone molecules to self-assembled-monolayers

Applied surface science, 2020-09, Vol.525, p.146156, Article 146156

2020

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Adsorption and self-assembly of bio-organic molecules at model surfaces: A route towards increased complexity

Surface science reports, 2015-12, Vol.70 (4), p.449-553

2015

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Near-ambient XPS characterization of interfacial copper species in ceria-supported copper catalysts

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (44), p.29995-30004

2015

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Corrosion inhibition at emergent grain boundaries studied by DFT for 2-mercaptobenzothiazole on bi-crystalline copper

Npj Materials degradation, 2023-01, Vol.7 (1), p.5-10, Article 5

2023

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Ab Initio Study of the Hydroxylated Surface of Amorphous Silica: A Representative Model

Chemistry of materials, 2008-05, Vol.20 (10), p.3336-3344

2008

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Brønsted acidity of amorphous silica–alumina: The molecular rules of proton transfer

Journal of catalysis, 2011-12, Vol.284 (2), p.215-229

2011

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Corrosion inhibition of locally de-passivated surfaces by DFT study of 2-mercaptobenzothiazole on copper

Npj Materials degradation, 2021-09, Vol.5 (1), p.1-12, Article 52

2021

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Treadmill Exercise Reverses the Adverse Effects of Intermittent Fasting on Behavior and Cortical Spreading Depression in Young Rats

Brain sciences, 2023-12, Vol.13 (12), p.1726

2023

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Tuning the Surface Chirality of Adsorbed Gly-Pro Dipeptide/Cu(110) by Changing Its Chemical Form via Electrospray Deposition

Langmuir, 2016-12, Vol.32 (51), p.13759-13763

2016

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DFT screening of adsorption of biodiesel molecules on aluminum and stainless steel surfaces

Results in surfaces and interfaces, 2022-02, Vol.6 (1), p.100050, Article 100050

2022

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DFT Modelling of Cu Segregation in Al-Cu Alloys Covered by an Ultrathin Oxide Film and Possible Links with Passivity

Metals (Basel ), 2017-09, Vol.7 (9), p.366

2017

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DFT study of the adsorption of microsolvated glycine on a hydrophilic amorphous silica surface

Physical chemistry chemical physics : PCCP, 2008-01, Vol.10 (42), p.6360-6368

2008

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Ab initio study of the chemical states of water on Cr2O3(00 0 1): From the isolated molecule to saturation coverage

Surface science, 2009-08, Vol.603 (16), p.2484-2493

2009

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DFT investigation of 2-mercaptobenzothiazole adsorption on model oxidized copper surfaces and relationship with corrosion inhibition

Applied surface science, 2021-01, Vol.537, p.147802, Article 147802

2021

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DFT studies of 2-mercaptobenzothiazole and 2-mercaptobenzimidazole as corrosion inhibitors for copper

Corrosion science, 2020-09, Vol.174, p.108840, Article 108840

2020

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Aluminium in biological environments: a computational approach

Computational and structural biotechnology journal, 2014-03, Vol.9 (15), p.e201403002-e201403002, Article e201403002

2014

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Atomistic insights on enhanced passivity: DFT study of substitutional Mo on Cr2O3 and Fe2O3 surfaces

Corrosion science, 2023-11, Vol.224, p.111543, Article 111543

2023

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DFT-Based Cu(111)||Cu2O(111) Model for Copper Metal Covered by Ultrathin Copper Oxide: Structure, Electronic Properties, and Reactivity

Journal of physical chemistry. C, 2020-08, Vol.124 (31), p.17048-17057

2020

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Silica Surface Features and Their Role in the Adsorption of Biomolecules: Computational Modeling and Experiments

Chemical reviews, 2013-06, Vol.113 (6), p.4216-4313

2013

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Chemical interaction, self-ordering and corrosion inhibition properties of 2-mercaptobenzothiazole monolayers: DFT atomistic modeling on metallic copper

Corrosion science, 2022-12, Vol.209, p.110658, Article 110658

2022

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DFT study on Mo-stabilized passive films: Hydroxylation effects on chromium and iron oxide surfaces

Corrosion science, 2024-06, Vol.233, p.112105, Article 112105

2024

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How Does Collagen Adsorb on Hydroxyapatite? Insights From Ab Initio Simulations on a Polyproline Type II Model

Journal of physical chemistry. C, 2019-04, Vol.123 (13), p.7540-7550

2019

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The native oxide film on a model aluminium-copper alloy studied by XPS and ToF-SIMS

Corrosion science, 2020-09, Vol.174, p.108837, Article 108837

2020

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Technique for treating complex aneurysms with Hercules stent graft modified by the surgeon

Journal of vascular surgery cases and innovative techniques, 2016-12, Vol.2 (4), p.184-189

2016

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"Green Star": a holistic Green Chemistry metric for evaluation of teaching laboratory experiments

Green chemistry letters and reviews, 2010-06, Vol.3 (2), p.149-159

2010

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DFT study of n-alkyl carboxylic acids on oxidized aluminum surfaces: From standalone molecules to self-assembled-monolayers

Adsorption and self-assembly of bio-organic molecules at model surfaces: A route towards increased complexity

Near-ambient XPS characterization of interfacial copper species in ceria-supported copper catalysts

Corrosion inhibition at emergent grain boundaries studied by DFT for 2-mercaptobenzothiazole on bi-crystalline copper

Ab Initio Study of the Hydroxylated Surface of Amorphous Silica: A Representative Model

Brønsted acidity of amorphous silica–alumina: The molecular rules of proton transfer

Corrosion inhibition of locally de-passivated surfaces by DFT study of 2-mercaptobenzothiazole on copper

Treadmill Exercise Reverses the Adverse Effects of Intermittent Fasting on Behavior and Cortical Spreading Depression in Young Rats

Tuning the Surface Chirality of Adsorbed Gly-Pro Dipeptide/Cu(110) by Changing Its Chemical Form via Electrospray Deposition

DFT screening of adsorption of biodiesel molecules on aluminum and stainless steel surfaces

DFT Modelling of Cu Segregation in Al-Cu Alloys Covered by an Ultrathin Oxide Film and Possible Links with Passivity

DFT study of the adsorption of microsolvated glycine on a hydrophilic amorphous silica surface

Ab initio study of the chemical states of water on Cr2O3(00 0 1): From the isolated molecule to saturation coverage

DFT investigation of 2-mercaptobenzothiazole adsorption on model oxidized copper surfaces and relationship with corrosion inhibition

DFT studies of 2-mercaptobenzothiazole and 2-mercaptobenzimidazole as corrosion inhibitors for copper

Aluminium in biological environments: a computational approach

Atomistic insights on enhanced passivity: DFT study of substitutional Mo on Cr2O3 and Fe2O3 surfaces

DFT-Based Cu(111)||Cu2O(111) Model for Copper Metal Covered by Ultrathin Copper Oxide: Structure, Electronic Properties, and Reactivity

Silica Surface Features and Their Role in the Adsorption of Biomolecules: Computational Modeling and Experiments

Chemical interaction, self-ordering and corrosion inhibition properties of 2-mercaptobenzothiazole monolayers: DFT atomistic modeling on metallic copper

DFT study on Mo-stabilized passive films: Hydroxylation effects on chromium and iron oxide surfaces

How Does Collagen Adsorb on Hydroxyapatite? Insights From Ab Initio Simulations on a Polyproline Type II Model

The native oxide film on a model aluminium-copper alloy studied by XPS and ToF-SIMS

Technique for treating complex aneurysms with Hercules stent graft modified by the surgeon

"Green Star": a holistic Green Chemistry metric for evaluation of teaching laboratory experiments

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