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Silicon nanowires as efficient thermoelectric materials

Nature, 2008-01, Vol.451 (7175), p.168-171

2008

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Thermodynamics of liquids: standard molar entropies and heat capacities of common solvents from 2PT molecular dynamics

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (1), p.169-181

2011

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Electronic−Mechanical Coupling in Graphene from in situ Nanoindentation Experiments and Multiscale Atomistic Simulations

Nano letters, 2011-03, Vol.11 (3), p.1241-1246

2011

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Oxidative Aliphatic C-H Fluorination with Fluoride Ion Catalyzed by a Manganese Porphyrin

Science (American Association for the Advancement of Science), 2012-09, Vol.337 (6100), p.1322-1325

2012

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Computational modeling of structure and OH-anion diffusion in quaternary ammonium polysulfone hydroxide – Polymer electrolyte for application in electrochemical devices

Journal of membrane science, 2013-03, Vol.431, p.79-85

2013

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3D Structure Prediction of TAS2R38 Bitter Receptors Bound to Agonists Phenylthiocarbamide (PTC) and 6-n-Propylthiouracil (PROP)

Journal of chemical information and modeling, 2012-07, Vol.52 (7), p.1875-1885

2012

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Simulations on the Thermal Decomposition of a Poly(dimethylsiloxane) Polymer Using the ReaxFF Reactive Force Field

Journal of the American Chemical Society, 2005-05, Vol.127 (19), p.7192-7202

2005

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Water adsorption on stepped ZnO surfaces from MD simulation

Surface science, 2010-05, Vol.604 (9), p.741-752

2010

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Water Formation on Pt and Pt-based Alloys: A Theoretical Description of a Catalytic Reaction

Chemphyschem, 2006-05, Vol.7 (5), p.992-1005

2006

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Structure of PAMAM Dendrimers: Generations 1 through 11

Macromolecules, 2004-08, Vol.37 (16), p.6236-6254

2004

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Effect of Solvent and pH on the Structure of PAMAM Dendrimers

Macromolecules, 2005-02, Vol.38 (3), p.979-991

2005

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Theoretical Understanding of Enhanced Photoelectrochemical Catalytic Activity of Sn-Doped Hematite: Anisotropic Catalysis and Effects of Morin Transition and Sn Doping

Journal of physical chemistry. C, 2013-02, Vol.117 (8), p.3779-3784

2013

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Dendritic Chelating Agents. 2. U(VI) Binding to Poly(amidoamine) and Poly(propyleneimine) Dendrimers in Aqueous Solutions

Environmental science & technology, 2008-03, Vol.42 (5), p.1572-1579

2008

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Thermal conductivity of carbon nanotubes

Nanotechnology, 2000-06, Vol.11 (2), p.65-69

2000

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DNA-Linker-Induced Surface Assembly of Ultra Dense Parallel Single Walled Carbon Nanotube Arrays

Nano letters, 2012-03, Vol.12 (3), p.1129-1135

2012

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The Isomerization Equilibrium between Cis and Trans Chloride Ruthenium Olefin Metathesis Catalysts from Quantum Mechanics Calculations

Journal of the American Chemical Society, 2005-09, Vol.127 (35), p.12218-12219

2005

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Mechanistic Analysis of Hydroarylation Catalysts

Journal of the American Chemical Society, 2004-09, Vol.126 (37), p.11658-11665

2004

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Dependence on the structure and surface polarity of ZnS photocatalytic activities of water splitting: first-principles calculations

Physical chemistry chemical physics : PCCP, 2013-06, Vol.15 (24), p.9531-9539

2013

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Molecular Dynamics Simulation of Amphiphilic Bistable [2]Rotaxane Langmuir Monolayers at the Air/Water Interface

Journal of the American Chemical Society, 2005-10, Vol.127 (42), p.14804-14816

2005

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Branched Polymeric Media: Boron-Chelating Resins from Hyperbranched Polyethylenimine

Environmental science & technology, 2012-08, Vol.46 (16), p.8998-9004

2012

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Mechanism of Homogeneous Ir(III) Catalyzed Regioselective Arylation of Olefins

Journal of the American Chemical Society, 2004-01, Vol.126 (1), p.352-363

2004

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Design and study of homogeneous catalysts for the selective, low temperature oxidation of hydrocarbons

Journal of molecular catalysis. A, Chemical, 2006-05, Vol.251 (1), p.8-23

2006

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Energetics, structure, mechanical and vibrational properties of single-walled carbon nanotubes

Nanotechnology, 1998-09, Vol.9 (3), p.184-191

1998

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Microscopic mechanism of water diffusion in glucose glasses

Physical review letters, 2005-07, Vol.95 (4), p.045701.1-045701.4, Article 045701

2005

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Branched Polymeric Media: Perchlorate-Selective Resins from Hyperbranched Polyethyleneimine

Environmental science & technology, 2012-10, Vol.46 (19), p.10718-10726

2012

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Silicon nanowires as efficient thermoelectric materials

Thermodynamics of liquids: standard molar entropies and heat capacities of common solvents from 2PT molecular dynamics

Electronic−Mechanical Coupling in Graphene from in situ Nanoindentation Experiments and Multiscale Atomistic Simulations

Oxidative Aliphatic C-H Fluorination with Fluoride Ion Catalyzed by a Manganese Porphyrin

Computational modeling of structure and OH-anion diffusion in quaternary ammonium polysulfone hydroxide – Polymer electrolyte for application in electrochemical devices

3D Structure Prediction of TAS2R38 Bitter Receptors Bound to Agonists Phenylthiocarbamide (PTC) and 6-n-Propylthiouracil (PROP)

Simulations on the Thermal Decomposition of a Poly(dimethylsiloxane) Polymer Using the ReaxFF Reactive Force Field

Water adsorption on stepped ZnO surfaces from MD simulation

Water Formation on Pt and Pt-based Alloys: A Theoretical Description of a Catalytic Reaction

Structure of PAMAM Dendrimers: Generations 1 through 11

Effect of Solvent and pH on the Structure of PAMAM Dendrimers

Theoretical Understanding of Enhanced Photoelectrochemical Catalytic Activity of Sn-Doped Hematite: Anisotropic Catalysis and Effects of Morin Transition and Sn Doping

Dendritic Chelating Agents. 2. U(VI) Binding to Poly(amidoamine) and Poly(propyleneimine) Dendrimers in Aqueous Solutions

Thermal conductivity of carbon nanotubes

DNA-Linker-Induced Surface Assembly of Ultra Dense Parallel Single Walled Carbon Nanotube Arrays

The Isomerization Equilibrium between Cis and Trans Chloride Ruthenium Olefin Metathesis Catalysts from Quantum Mechanics Calculations

Mechanistic Analysis of Hydroarylation Catalysts

Dependence on the structure and surface polarity of ZnS photocatalytic activities of water splitting: first-principles calculations

Molecular Dynamics Simulation of Amphiphilic Bistable [2]Rotaxane Langmuir Monolayers at the Air/Water Interface

Branched Polymeric Media: Boron-Chelating Resins from Hyperbranched Polyethylenimine

Mechanism of Homogeneous Ir(III) Catalyzed Regioselective Arylation of Olefins

Design and study of homogeneous catalysts for the selective, low temperature oxidation of hydrocarbons

Energetics, structure, mechanical and vibrational properties of single-walled carbon nanotubes

Microscopic mechanism of water diffusion in glucose glasses

Branched Polymeric Media: Perchlorate-Selective Resins from Hyperbranched Polyethyleneimine

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