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Nanometallic Glasses: Size Reduction Brings Ductility, Surface State Drives Its Extent

Nano letters, 2013-09, Vol.13 (9), p.4462-4468

2013

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Quantum Chemical Calculations of the Influence of Anchor-Cum-Spacer Groups on Femtosecond Electron Transfer Times in Dye-Sensitized Semiconductor Nanocrystals

Journal of chemical theory and computation, 2006-03, Vol.2 (2), p.441-451

2006

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Hildebrand and Hansen solubility parameters from Molecular Dynamics with applications to electronic nose polymer sensors

Journal of computational chemistry, 2004-11, Vol.25 (15), p.1814-1826

2004

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Direct MD Simulations of Terahertz Absorption and 2D Spectroscopy Applied to Explosive Crystals

The journal of physical chemistry letters, 2014-03, Vol.5 (5), p.772-776

2014

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Tensile Strength of Liquids: Equivalence of Temporal and Spatial Scales in Cavitation

The journal of physical chemistry letters, 2016-03, Vol.7 (5), p.806-810

2016

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Ductility and work hardening in nano-sized metallic glasses

Applied physics letters, 2015-02, Vol.106 (6)

2015

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Shock response of single crystal and nanocrystalline pentaerythritol tetranitrate: Implications to hotspot formation in energetic materials

The Journal of chemical physics, 2013-10, Vol.139 (16), p.164704-164704

2013

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Computational modeling of structure-function of g protein-coupled receptors with applications for drug design

Current medicinal chemistry, 2010-04, Vol.17 (12), p.1167

2010

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Shock-induced consolidation and spallation of Cu nanopowders

Journal of applied physics, 2012-01, Vol.111 (1), p.013508-013508-6

2012

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Shock response of a model structured nanofoam of Cu

Journal of applied physics, 2013-02, Vol.113 (6)

2013

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UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

Journal of the American Chemical Society, 1992-12, Vol.114 (25), p.10024-10035

1992

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Dynamic response of phenolic resin and its carbon-nanotube composites to shock wave loading

Journal of applied physics, 2011-01, Vol.109 (1), p.013503-013503-7

2011

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Molecular Mechanisms Underlying Differential Odor Responses of a Mouse Olfactory Receptor

Proceedings of the National Academy of Sciences - PNAS, 2000-09, Vol.97 (20), p.10712-10716

2000

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Benzene Forms Hydrogen Bonds with Water

Science (American Association for the Advancement of Science), 1992-08, Vol.257 (5072), p.942-945

1992

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Predicting Solid-State Heats of Formation of Newly Synthesized Polynitrogen Materials by Using Quantum Mechanical Calculations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-11, Vol.112 (46), p.11914-11920

2008

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Ruffling in a Series of Nickel(II) meso-Tetrasubstituted Porphyrins as a Model for the Conserved Ruffling of the Heme of Cytochromes c

Journal of the American Chemical Society, 1995-11, Vol.117 (45), p.11085-11097

1995

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Growth and Isolation of Large Area Boron‐Doped Nanocrystalline Diamond Sheets: A Route toward Diamond‐on‐Graphene Heterojunction

Advanced functional materials, 2019-01, Vol.29 (3), p.n/a

2019

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Superlubricity and tribochemistry of polyhydric alcohols

Physical review. B, Condensed matter and materials physics, 2008-08, Vol.78 (8), Article 085436

2008

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On interplay of surface tension and inertial stabilization mechanisms in the stable and unstable interface dynamics with the interfacial mass flux

Physica scripta, 2021-08, Vol.96 (8), p.84001

2021

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Stabilization of Coiled-Coil Peptide Domains by Introduction of Trifluoroleucine

Biochemistry (Easton), 2001-03, Vol.40 (9), p.2790-2796

2001

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Thermal conductivity of carbon nanotubes

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

2000

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Atomistic simulations of the LaMnO3 (110) polar surface

Physical chemistry chemical physics : PCCP, 2003-10, Vol.5 (19), p.4180-4184

2003

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Epitaxial growth of cobalt oxide phases on Ru(0001) for spintronic device applications

Semiconductor science and technology, 2017-08, Vol.32 (9), p.95011

2017

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Conformation and Proton Configuration of Pyrimidine Deoxynucleoside Oxidation Damage Products in Water

Chemical research in toxicology, 2000-06, Vol.13 (6), p.462-470

2000

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Molecular mechanics and molecular dynamics analysis of Drexler-Merkle gears and neon pump

Nanotechnology, 1998-09, Vol.9 (3), p.143-152

1998

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Nanometallic Glasses: Size Reduction Brings Ductility, Surface State Drives Its Extent

Quantum Chemical Calculations of the Influence of Anchor-Cum-Spacer Groups on Femtosecond Electron Transfer Times in Dye-Sensitized Semiconductor Nanocrystals

Hildebrand and Hansen solubility parameters from Molecular Dynamics with applications to electronic nose polymer sensors

Direct MD Simulations of Terahertz Absorption and 2D Spectroscopy Applied to Explosive Crystals

Tensile Strength of Liquids: Equivalence of Temporal and Spatial Scales in Cavitation

Ductility and work hardening in nano-sized metallic glasses

Shock response of single crystal and nanocrystalline pentaerythritol tetranitrate: Implications to hotspot formation in energetic materials

Computational modeling of structure-function of g protein-coupled receptors with applications for drug design

Shock-induced consolidation and spallation of Cu nanopowders

Shock response of a model structured nanofoam of Cu

UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

Dynamic response of phenolic resin and its carbon-nanotube composites to shock wave loading

Molecular Mechanisms Underlying Differential Odor Responses of a Mouse Olfactory Receptor

Benzene Forms Hydrogen Bonds with Water

Predicting Solid-State Heats of Formation of Newly Synthesized Polynitrogen Materials by Using Quantum Mechanical Calculations

Ruffling in a Series of Nickel(II) meso-Tetrasubstituted Porphyrins as a Model for the Conserved Ruffling of the Heme of Cytochromes c

Growth and Isolation of Large Area Boron‐Doped Nanocrystalline Diamond Sheets: A Route toward Diamond‐on‐Graphene Heterojunction

Superlubricity and tribochemistry of polyhydric alcohols

On interplay of surface tension and inertial stabilization mechanisms in the stable and unstable interface dynamics with the interfacial mass flux

Stabilization of Coiled-Coil Peptide Domains by Introduction of Trifluoroleucine

Thermal conductivity of carbon nanotubes

Atomistic simulations of the LaMnO3 (110) polar surface

Epitaxial growth of cobalt oxide phases on Ru(0001) for spintronic device applications

Conformation and Proton Configuration of Pyrimidine Deoxynucleoside Oxidation Damage Products in Water

Molecular mechanics and molecular dynamics analysis of Drexler-Merkle gears and neon pump

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