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Understanding the Role of Water in Aqueous Ruthenium-Catalyzed Transfer Hydrogenation of Ketones

Chemphyschem, 2012-10, Vol.13 (15), p.3492-3496

2012

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Force sensing in surgical sutures

PloS one, 2013-12, Vol.8 (12), p.e84466-e84466

2013

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Hydration mechanisms of Cu2+: tetra-, penta- or hexa-coordinated?

Physical chemistry chemical physics : PCCP, 2010-01, Vol.12 (36), p.181-184

2010

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Acidity of edge surface sites of montmorillonite and kaolinite

Geochimica et cosmochimica acta, 2013-09, Vol.117, p.180-190

2013

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How Solvent Affects C–H Activation and Hydrogen Production Pathways in Homogeneous Ru-Catalyzed Methanol Dehydrogenation Reactions

ACS catalysis, 2018-08, Vol.8 (8), p.6908-6913

2018

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Surface complexation of heavy metal cations on clay edges: insights from first principles molecular dynamics simulation of Ni(II)

Geochimica et cosmochimica acta, 2017-04, Vol.203, p.54-68

2017

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Does the breaking of adsorption-energy scaling relations guarantee enhanced electrocatalysis?

Current opinion in electrochemistry, 2018-03, Vol.8, p.110-117

2018

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First-principles molecular dynamics insight into Fe2+ complexes adsorbed on edge surfaces of clay minerals

Clays and clay minerals, 2012-08, Vol.60 (4), p.341-347

2012

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Realistic Modeling of Ruthenium-Catalyzed Transfer Hydrogenation

Journal of the American Chemical Society, 2007-03, Vol.129 (11), p.3099-3103

2007

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Modeling the Catalyst Activation Step in a Metal–Ligand Radical Mechanism Based Water Oxidation System

Inorganics, 2019-05, Vol.7 (5), p.62

2019

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Atomic-scale structures of interfaces between phyllosilicate edges and water

Geochimica et cosmochimica acta, 2012-03, Vol.81, p.56-68

2012

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On the slowdown mechanism of water dynamics around small amphiphiles

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (38), p.24968-24977

2015

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Conformational Study of Z‑Glu-OH and Z‑Arg-OH: Dispersion Interactions versus Conventional Hydrogen Bonding

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-02, Vol.117 (6), p.1216-1227

2013

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Clarifying the role of sodium in the silica oligomerization reaction

Physical chemistry chemical physics : PCCP, 2013-01, Vol.15 (4), p.1123-1129

2013

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Graphitization of single-wall nanotube bundles at extreme conditions: Collapse or coalescence route

Physical review. B, Condensed matter and materials physics, 2013-10, Vol.88 (16), Article 165416

2013

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Modeling the phase diagram of carbon

Physical review letters, 2005-04, Vol.94 (14), p.145701.1-145701.4, Article 145701

2005

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The role of a structure directing agent tetramethylammonium template in the initial steps of silicate oligomerization in aqueous solution

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (34), p.2181-21818

2015

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Acidities of confined water in interlayer space of clay minerals

Geochimica et cosmochimica acta, 2011-09, Vol.75 (17), p.4978-4986

2011

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The role of water in silicate oligomerization reaction

Physical chemistry chemical physics : PCCP, 2009-01, Vol.11 (25), p.5092-5099

2009

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Understanding hydration of Zn2+ in hydrothermal fluids with ab initio molecular dynamics

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (29), p.13305-13309

2011

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Colloid-polymer mixtures in the protein limit

Physical review letters, 2003-02, Vol.90 (6), p.068304-068304, Article 068304

2003

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A density-functional study of the intermolecular interactions of benzene

The Journal of chemical physics, 1996-11, Vol.105 (19), p.8684-8689

1996

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Density-functional theory-based molecular simulation study of liquid methanol

The Journal of chemical physics, 2004-11, Vol.121 (20), p.10111-10119

2004

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Elucidating cation effects in homogeneously catalyzed formic acid dehydrogenation

Faraday discussions, 2019-12, Vol.22, p.44-413

2019

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Effect of Counter Ions on the Silica Oligomerization Reaction

Chemphyschem, 2009-08, Vol.10 (11), p.1775-1782

2009

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Understanding the Role of Water in Aqueous Ruthenium-Catalyzed Transfer Hydrogenation of Ketones

Force sensing in surgical sutures

Hydration mechanisms of Cu2+: tetra-, penta- or hexa-coordinated?

Acidity of edge surface sites of montmorillonite and kaolinite

How Solvent Affects C–H Activation and Hydrogen Production Pathways in Homogeneous Ru-Catalyzed Methanol Dehydrogenation Reactions

Surface complexation of heavy metal cations on clay edges: insights from first principles molecular dynamics simulation of Ni(II)

Does the breaking of adsorption-energy scaling relations guarantee enhanced electrocatalysis?

First-principles molecular dynamics insight into Fe2+ complexes adsorbed on edge surfaces of clay minerals

Realistic Modeling of Ruthenium-Catalyzed Transfer Hydrogenation

Modeling the Catalyst Activation Step in a Metal–Ligand Radical Mechanism Based Water Oxidation System

Atomic-scale structures of interfaces between phyllosilicate edges and water

On the slowdown mechanism of water dynamics around small amphiphiles

Conformational Study of Z‑Glu-OH and Z‑Arg-OH: Dispersion Interactions versus Conventional Hydrogen Bonding

Clarifying the role of sodium in the silica oligomerization reaction

Graphitization of single-wall nanotube bundles at extreme conditions: Collapse or coalescence route

Modeling the phase diagram of carbon

The role of a structure directing agent tetramethylammonium template in the initial steps of silicate oligomerization in aqueous solution

Acidities of confined water in interlayer space of clay minerals

The role of water in silicate oligomerization reaction

Understanding hydration of Zn2+ in hydrothermal fluids with ab initio molecular dynamics

Colloid-polymer mixtures in the protein limit

A density-functional study of the intermolecular interactions of benzene

Density-functional theory-based molecular simulation study of liquid methanol

Elucidating cation effects in homogeneously catalyzed formic acid dehydrogenation

Effect of Counter Ions on the Silica Oligomerization Reaction

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