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Structure, stability, edge states, and aromaticity of graphene ribbons

Physical review letters, 2008-08, Vol.101 (9), p.096402-096402, Article 096402

2008

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Atomically precise bottom-up fabrication of graphene nanoribbons

Nature (London), 2010-07, Vol.466 (7305), p.470-473

2010

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Synthesizing Highly Regular Single-Layer Alkynyl–Silver Networks at the Micrometer Scale via Gas-Mediated Surface Reaction

Journal of the American Chemical Society, 2019-04, Vol.141 (13), p.5087-5091

2019

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Van der Waals effects in ab initio water at ambient and supercritical conditions

The Journal of chemical physics, 2011-10, Vol.135 (15), p.154503-154503-10

2011

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Field emission microscope for a single fullerene molecule

Scientific reports, 2022-02, Vol.12 (1), p.2714-2714, Article 2714

2022

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Sulfur radical species form gold deposits on Earth

Proceedings of the National Academy of Sciences - PNAS, 2015-11, Vol.112 (44), p.13484-13489

2015

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Five-vertex Archimedean surface tessellation by lanthanide-directed molecular self-assembly

Proceedings of the National Academy of Sciences - PNAS, 2013-04, Vol.110 (17), p.6678-6681

2013

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Importance of van der Waals Interactions in Liquid Water

The journal of physical chemistry. B, 2009-01, Vol.113 (4), p.1127-1131

2009

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Effect of Dispersion on the Structure and Dynamics of the Ionic Liquid 1-Ethyl-3-methylimidazolium Thiocyanate

Chemphyschem, 2012-05, Vol.13 (7), p.1845-1853

2012

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Carbon dioxide in silicate melts at upper mantle conditions: Insights from atomistic simulations

Chemical geology, 2015-12, Vol.418, p.77-88

2015

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Molecular Dynamics Simulation of Liquid Water: Hybrid Density Functionals

The journal of physical chemistry. B, 2006-03, Vol.110 (8), p.3685-3691

2006

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Silver in geological fluids from in situ X-ray absorption spectroscopy and first-principles molecular dynamics

Geochimica et cosmochimica acta, 2013-04, Vol.106, p.501-523

2013

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Stable Deacon Process for HCl Oxidation over RuO2

Angewandte Chemie (International ed.), 2008-01, Vol.47 (11), p.2131-2134

2008

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Chiral modification of platinum: ab initio study of the effect of hydrogen coadsorption on stability and geometry of adsorbed cinchona alkaloids

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (41), p.27615-27629

2015

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Structure and Dynamics of Liquid Water from ab Initio Molecular DynamicsComparison of BLYP, PBE, and revPBE Density Functionals with and without van der Waals Corrections

Journal of chemical theory and computation, 2012-10, Vol.8 (10), p.3902-3910

2012

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STM Study of Terephthalic Acid Self-Assembly on Au(111): Hydrogen-Bonded Sheets on an Inhomogeneous Substrate

The journal of physical chemistry. B, 2004-09, Vol.108 (38), p.14585-14590

2004

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Buckybowls on Metal Surfaces: Symmetry Mismatch and Enantiomorphism of Corannulene on Cu(110)

Angewandte Chemie (International ed.), 2007-11, Vol.46 (43), p.8258-8261

2007

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Adsorption of silicon on Au(110): An ordered two dimensional surface alloy

Applied physics letters, 2012-07, Vol.101 (2)

2012

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Clar’s Theory, π-Electron Distribution, and Geometry of Graphene Nanoribbons

Journal of the American Chemical Society, 2010-03, Vol.132 (10), p.3440-3451

2010

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A review on silicene — New candidate for electronics

Surface science reports, 2012, Vol.67 (1), p.1-18

2012

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Density Functional Theory Analysis of Carboxylate-Bridged Diiron Units in Two-Dimensional Metal−Organic Grids

Journal of the American Chemical Society, 2006-05, Vol.128 (17), p.5634-5635

2006

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Lanthanide-Directed Assembly of Interfacial Coordination Architectures–From Complex Networks to Functional Nanosystems

Accounts of chemical research, 2018-02, Vol.51 (2), p.365-375

2018

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Understanding the Structural Deactivation of Ruthenium Catalysts on an Atomic Scale under both Oxidizing and Reducing Conditions

Angewandte Chemie (International ed.), 2005-01, Vol.44 (6), p.917-920

2005

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Unexpected Hydrogen Bond Dynamics in Imidazolium-Based Ionic Liquids

The journal of physical chemistry. B, 2009-11, Vol.113 (46), p.15129-15132

2009

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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Journal of physics. Condensed matter, 2009-09, Vol.21 (39), p.395502-395502 (19)

2009

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Structure, stability, edge states, and aromaticity of graphene ribbons

Atomically precise bottom-up fabrication of graphene nanoribbons

Synthesizing Highly Regular Single-Layer Alkynyl–Silver Networks at the Micrometer Scale via Gas-Mediated Surface Reaction

Van der Waals effects in ab initio water at ambient and supercritical conditions

Field emission microscope for a single fullerene molecule

Sulfur radical species form gold deposits on Earth

Five-vertex Archimedean surface tessellation by lanthanide-directed molecular self-assembly

Importance of van der Waals Interactions in Liquid Water

Effect of Dispersion on the Structure and Dynamics of the Ionic Liquid 1-Ethyl-3-methylimidazolium Thiocyanate

Carbon dioxide in silicate melts at upper mantle conditions: Insights from atomistic simulations

Molecular Dynamics Simulation of Liquid Water: Hybrid Density Functionals

Silver in geological fluids from in situ X-ray absorption spectroscopy and first-principles molecular dynamics

Stable Deacon Process for HCl Oxidation over RuO2

Chiral modification of platinum: ab initio study of the effect of hydrogen coadsorption on stability and geometry of adsorbed cinchona alkaloids

Structure and Dynamics of Liquid Water from ab Initio Molecular DynamicsComparison of BLYP, PBE, and revPBE Density Functionals with and without van der Waals Corrections

STM Study of Terephthalic Acid Self-Assembly on Au(111): Hydrogen-Bonded Sheets on an Inhomogeneous Substrate

Buckybowls on Metal Surfaces: Symmetry Mismatch and Enantiomorphism of Corannulene on Cu(110)

Adsorption of silicon on Au(110): An ordered two dimensional surface alloy

Clar’s Theory, π-Electron Distribution, and Geometry of Graphene Nanoribbons

A review on silicene — New candidate for electronics

Density Functional Theory Analysis of Carboxylate-Bridged Diiron Units in Two-Dimensional Metal−Organic Grids

Lanthanide-Directed Assembly of Interfacial Coordination Architectures–From Complex Networks to Functional Nanosystems

Understanding the Structural Deactivation of Ruthenium Catalysts on an Atomic Scale under both Oxidizing and Reducing Conditions

Unexpected Hydrogen Bond Dynamics in Imidazolium-Based Ionic Liquids

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

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