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Surface oxidation mechanism of CoCrFeNi high entropy alloy

Surface science, 2022-09, Vol.723, p.122124, Article 122124

2022

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Molecular dynamics simulation of the interaction of HLL peptide and 2D materials with individual residue resolution

Computational materials science, 2019-11, Vol.169, p.109112, Article 109112

2019

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Electron Transport through Single Molecules: Scattering Treatment Using Density Functional and Green Function Theories

The journal of physical chemistry. B, 2001-01, Vol.105 (2), p.471-481

2001

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A stochastic approach towards a predictive model on charge transport properties in carbon nanotube composites

Composites. Part B, Engineering, 2016-09, Vol.100, p.56-67

2016

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Does University Context Play a Role in Mitigating Threatening Race-STEM Stereotypes? Test of the Stereotype Inoculation Model

Journal of diversity in higher education, 2024-04, Vol.17 (2), p.190-199

2024

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Simulation of transport and extravasation of nanoparticles in tumors which exhibit enhanced permeability and retention effect

Computer methods and programs in biomedicine, 2013-10, Vol.112 (1), p.58-68

2013

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Polymer-Mediated Tunneling Transport Between Carbon Nanotubes in Nanocomposites

Journal of nanoscience and nanotechnology, 2014-05, Vol.14 (5), p.3696-3702

2014

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Psychological Momentum and Inertia: Toward a Model of Academic Motivation

Journal of career development, 2021-06, Vol.48 (3), p.275-289

2021

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Effective medium approximation for the dielectric environment of coated gold nanorods

Optical materials express, 2022-09, Vol.12 (9), p.3577

2022

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A combined semiempirical-DFT study of oligomers within the finite-chain approximation, evolution from oligomers to polymers

Journal of computational chemistry, 2009-06, Vol.30 (8), p.1220-1228

Derosa, Pedro A.

2009

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A Theoretical Analysis of Metal−Molecule Contacts

Journal of the American Chemical Society, 2001-06, Vol.123 (23), p.5616-5617

2001

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CTViz: A tool for the visualization of transport in nanocomposites

Journal of molecular graphics & modelling, 2016-05, Vol.66, p.168-173

2016

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Molecular Rectifying Diodes Based on an Aluminum/4′-Hydroxy-4-biphenyl Carboxylic Acid/p+-Silicon Junction

Journal of physical chemistry. C, 2010-12, Vol.114 (48), p.20877-20884

2010

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A Programmable Molecular Diode Driven by Charge-Induced Conformational Changes

Journal of the American Chemical Society, 2003-11, Vol.125 (47), p.14240-14241

2003

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Theoretical Analysis of Complementary Molecular Memory Devices

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2001-02, Vol.105 (5), p.791-795

2001

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Nanometer-Size Conducting and Insulating Molecular Devices

The journal of physical chemistry. B, 2004-11, Vol.108 (46), p.17879-17885

2004

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Theoretical Interpretation of Switching in Experiments with Single Molecules

Journal of the American Chemical Society, 2002-09, Vol.124 (35), p.10266-10267

2002

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Molecular Gain in a Thiotolane System

Journal of the American Chemical Society, 2001-12, Vol.123 (49), p.12418-12419

2001

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Properties of Small Bimetallic Ni−Cu Clusters

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2001-08, Vol.105 (33), p.7917-7925

2001

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Analysis of a dinitro-based molecular device

The Journal of chemical physics, 2002-01, Vol.116 (4), p.1671-1683

2002

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Synthesis of Novel Fluorescent Sensors Based on Naphthalimide Fluorophores for the Highly Selective Hg2+-Sensing

Journal of chemistry, 2015-01, Vol.2015 (2015), p.1-9

2015

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The role of agglomeration in the conductivity of carbon nanotube composites near percolation

Journal of applied physics, 2017-02, Vol.121 (8)

2017

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Density Functional Theory Study of Copper Clusters

The journal of physical chemistry. B, 1999-04, Vol.103 (15), p.2830-2840

1999

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Spin-Controlled Conductivity in a Thiophene-Functionalized Iron-Bis(dicarbollide)

Journal of electronic materials, 2016-04, Vol.45 (4), p.2150-2159

2016

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Selective complexation of alkali metal ions using crown ethers derived from calix[4]arenes: a computational investigation of the structural and energetic factors

Journal of Inclusion Phenomena and Macrocyclic Chemistry, 2013-02, Vol.75 (1-2), p.185-195

2013

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Surface oxidation mechanism of CoCrFeNi high entropy alloy

Molecular dynamics simulation of the interaction of HLL peptide and 2D materials with individual residue resolution

Electron Transport through Single Molecules: Scattering Treatment Using Density Functional and Green Function Theories

A stochastic approach towards a predictive model on charge transport properties in carbon nanotube composites

Does University Context Play a Role in Mitigating Threatening Race-STEM Stereotypes? Test of the Stereotype Inoculation Model

Simulation of transport and extravasation of nanoparticles in tumors which exhibit enhanced permeability and retention effect

Polymer-Mediated Tunneling Transport Between Carbon Nanotubes in Nanocomposites

Psychological Momentum and Inertia: Toward a Model of Academic Motivation

Effective medium approximation for the dielectric environment of coated gold nanorods

A combined semiempirical-DFT study of oligomers within the finite-chain approximation, evolution from oligomers to polymers

A Theoretical Analysis of Metal−Molecule Contacts

CTViz: A tool for the visualization of transport in nanocomposites

Molecular Rectifying Diodes Based on an Aluminum/4′-Hydroxy-4-biphenyl Carboxylic Acid/p+-Silicon Junction

A Programmable Molecular Diode Driven by Charge-Induced Conformational Changes

Theoretical Analysis of Complementary Molecular Memory Devices

Nanometer-Size Conducting and Insulating Molecular Devices

Theoretical Interpretation of Switching in Experiments with Single Molecules

Molecular Gain in a Thiotolane System

Properties of Small Bimetallic Ni−Cu Clusters

Analysis of a dinitro-based molecular device

Synthesis of Novel Fluorescent Sensors Based on Naphthalimide Fluorophores for the Highly Selective Hg2+-Sensing

The role of agglomeration in the conductivity of carbon nanotube composites near percolation

Density Functional Theory Study of Copper Clusters

Spin-Controlled Conductivity in a Thiophene-Functionalized Iron-Bis(dicarbollide)

Selective complexation of alkali metal ions using crown ethers derived from calix[4]arenes: a computational investigation of the structural and energetic factors

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