J. Mintmire

发表

ELECTRONIC AND STRUCTURAL PROPERTIES OF CARBON NANOTUBES

J. Mintmire, C. T. White, 1996 .

Electronic and structural properties of carbon nanotubes

John W. Mintmire, J. Mintmire, C. T. White, 1995 .

Simulations of buckminsterfullerene (C60) collisions with a hydrogen-terminated diamond {111} surface

J. Mintmire, C. T. White, D. Brenner, 1991 .

Universal Density of States for Carbon Nanotubes

John W. Mintmire, J. Mintmire, C. T. White, 1998 .

PEPTIDE NANOTUBES : AN INERT ENVIRONMENT

R. A. Jishi, J. Mintmire, C. T. White, 1998 .

Efficient parallel algorithms for molecular dynamics simulations using variable charge transfer electrostatic potentials

J. Mintmire, D. Keffer, 2000 .

An Object-oriented Framework for Parallel, Reactive Molecular Dynamics Simulation

Yang Li, Steven J. Stuart, J. W. Mintmire, 2002, IASTED PDCS.

Electronic structure simulations of carbon nanotubes

J. Mintmire, C. T. White, 1996 .

First-principles band structures of armchair nanotubes

J. Mintmire, C. T. White, 1998 .

Endohedral carbon chains in chiral single‐wall carbon nanotubes

J. Mintmire, R. Vadapalli, 2006 .

First‐principles simulations of chiral double‐wall carbon nanotubes

J. Mintmire, T. Jayasekera, B. A. Landis, 2008 .

Theoretical elastic properties of single‐walled carbon nanotubes

J. Mintmire, B. A. Landis, J. Alford, 2005 .

Radial-breathing Mode Frequencies for Single-Walled Carbon Nanotubes of Arbitrary Chirality: First-Principles Calculations

J. Mintmire, D. Areshkin, H. M. Lawler, 2005 .

Stability of narrow zigzag carbon nanotubes

J. Mintmire, C. T. White, I. Cabria, 2003 .

Robust Ballistic Transport in Narrow Armchair-Edge Graphene Nanoribbons with Chemical Edge Disorder

J. Mintmire, C. T. White, D. Gunlycke, 2010 .

Conformation and electronic structure of heterocyclic ring chain polymers

J. Mintmire, C. T. White, M. Elert, 1988 .

Heteroatom effects in heterocyclic ring chain polymers

J. Mintmire, C. T. White, M. Elert, 1986 .

Virtual Symmetric Charge Transfer Superconducting Pairing Excitations in C60

J. Mintmire, C. T. White, D. Brenner, 1992 .

Local-Density Functional Approach to Chain Polymers

J. Mintmire, C. T. White, M. Elert, 1985 .

Fullerene Formation and Annealing

J. Mintmire, 1996, Science.

Relative Energetics of C 44 Fullerene Isomers

D. Robertson, J. Mintmire, C. T. White, 1992 .

Photoelectron Spectra of C 60 H 36 and C 60 H 60

D. Robertson, J. Mintmire, C. T. White, 1992 .

Soliton defects in polyacetylene: Local‐density functional results

J. Mintmire, C. T. White, F. Kutzler, 1986 .

Local Density Functional Electronic Structures of Three Stable Icosahedral Fullerenes

J. Mintmire, C. T. White, D. Brenner, 1991 .

Graphene nanostrip digital memory device.

J. Mintmire, C. T. White, D. Areshkin, 2007, Nano letters.

Local density functional methods in two‐dimensionally periodic systems. I. The atomic hydrogen monolayer

J. Mintmire, J. Sabin, 2009 .

Limits of chemical effects on cold fusion

J. Mintmire, C. T. White, D. Brenner, 1990 .

D-D (H-H) Interactions within the Interstices of Pd

J. Mintmire, D. Brenner, C. T. White, 1991 .

Chemical forces associated with deuterium confinement in palladium. Technical report No. 3, 1 December 1988-28 August 1989

J. Mintmire, D. Brenner, B. Dunlap, 1989 .

Endohedral selenium chains in carbon, boron nitride, and BC2N nanotubes

R. A. Jishi, J. Mintmire, C. T. White, 2000 .

Ground states and ionization energies of Si2H6, Si3H8, Si4H10, and Si5H12

J. V. Ortiz, J. Mintmire, 1988 .

Charge transfer and bonding in metallic oxides

Frederick H. Streitz, John W. Mintmire, F. Streitz, 1994 .

Geometric and electronic structures of C60H60, C60F60, and C60H36

Donald W. Brenner, Brett I. Dunlap, John W. Mintmire, 1991 .

Surface passivation effects in silicon nanowires

J. Mintmire, Junwen Li, 2015 .

Density of states reflects diameter in nanotubes

J. Mintmire, C. T. White, 1998, Nature.

First-principles calculation of the conformation and electronic structure of polyparaphenylene

P. V. Camp, J. Mintmire, M. Miao, 1998 .

First-Principles Study of Helical Silver Single-Wall Nanotubes and Nanowires

S. L. Elizondo, J. Mintmire, 2005 .

Simulations of metal nanowires

S. L. Elizondo, J. Mintmire, 2005 .

Transport in multiterminal graphene nanodevices

J. Mintmire, T. Jayasekera, 2007, Nanotechnology.

Lattice vacancy effects on electron transport in multiterminal graphene nanodevices

J. Mintmire, T. Jayasekera, 2007 .

Altering low-bias transport in zigzag-edge graphene nanostrips with edge chemistry

J. Mintmire, C. T. White, Junwen Li, 2007 .

Effect of phase-breaking events on electron transport in mesoscopic and nanodevices

J. Mintmire, V. Meunier, T. Jayasekera, 2008 .

First‐principles properties of organic polymer photovoltaic materials

S. L. Elizondo, J. Mintmire, T. Jayasekera, 2007 .

Fundamental properties of single-wall carbon nanotubes.

J. Mintmire, C. T. White, Carter T White, 2005, The journal of physical chemistry. B.

Possible many-body effects in scanning tunneling microscopy of molecular adsorbates

R. Colton, J. Mintmire, C. T. White, 1992 .

Ab initio study of helical silver single-wall nanotubes and nanowires

S. L. Elizondo, J. Mintmire, 2006 .

Molecular dynamics simulations of the oxidation of aluminum nanoparticles.

J. Mintmire, S. Alavi, D. Thompson, 2005, The journal of physical chemistry. B.

Charge transfer in No2AsF6 intercalated graphite

J. Mintmire, H. A. Resing, D. Weber, 1983 .

Theory for New Carbon-Based Materials

D. Robertson, J. Mintmire, C. T. White, 1992 .

ENERGETICS OF ALUMINUM VACANCIES IN GAMMA ALUMINA

F. Streitz, J. Mintmire, 1999 .

FIRST-PRINCIPLES SIMULATIONS OF ENDOHEDRAL BROMINE IN BC3 NANOTUBES

R. A. Jishi, J. Mintmire, C. T. White, 1998 .

Properties of fullerene nanotubules

D. Robertson, J. Mintmire, C. T. White, 1993 .

Metallic and semiconducting narrow carbon nanotubes

J. Mintmire, C. T. White, I. Cabria, 2003 .

Stability and electronic structure of phosphorus nanotubes

J. Mintmire, I. Cabria, I. Cabria, 2004 .

Helical strain in carbon nanotubes : Speed of sound and poisson ratio from first principles

J. Mintmire, C. T. White, H. M. Lawler, 2006 .

Fitting the Coulomb potential variationally in linear-combination-of-atomic-orbitals density-functional calculations

J. Mintmire, B. Dunlap, 1982 .

Electronic transport of silicon nanowires with surface defects

J. Mintmire, V. Meunier, Junwen Li, 2009 .

Special C 44 Isomers

D. Robertson, J. Mintmire, C. T. White, 1994 .

Atomic-Scale Simulations of Structural Properties of Ceramics

F. Streitz, J. Mintmire, D. Keffer, 1996 .

Electrostatic-based model for alumina surfaces

F. Streitz, J. Mintmire, 1994 .

Metal/oxide interfaces: an electrostatics-based model

F. Streitz, J. Mintmire, 1994 .

Atomic Scale Simulations of Tensile Failure in Metal Oxides

F. Streitz, J. Mintmire, 1994 .

Model studies of composition-modulated CuNi superlattices

J. Mintmire, 1990 .

Ab initio conformation and ionization potentials of polysilane oligomers

J. V. Ortiz, J. Mintmire, 1988 .

Local-density-functional approach to all-trans-polyacetylene

J. Mintmire, C. T. White, 1983 .

Calculation of the Total Energy Per Unit Cell and of the Band Structures of the Five Nucleotide Base Stacks Using the Local-density Approximation

J. Mintmire, M. Miao, J. Ladik, 1999 .

Local-density functional electronic structure of helical chain polymers

J. Mintmire, 1991 .

Geometry optimization of molecules within an LCGTO local-density functional approach

J. Mintmire, 1990 .

Brillouin zone treatment in total energy calculations of Peierls distorted chains

J. Mintmire, C. T. White, 1987 .

Preliminary report on a local‐density functional study of polysilane chains

J. Mintmire, 1987 .

Conformation and Electronic Properties of Helical Cis-Polyacetylene

J. Mintmire, M. Elert, C. T. White, 1985 .

Electronic Structure of Fullerene Tubules

D. Robertson, J. Mintmire, C. T. White, 1992 .

LCAO methods in the Xα formalism: A comparison of results for the F2 molecule

J. Mintmire, 2009 .

Density-functional study of the mechanical and electronic properties of narrow carbon nanotubes under axial stress

J. Mintmire, C. Alsenoy, F. Bartha, 2005 .

First-Principles Study of the Optical Properties of ZnO Single-Wall Nanotubes†

S. L. Elizondo, J. Mintmire, 2007 .

Geometry optimization using local-density functional methods: Numerical aspects

Brett I. Dunlap, R. S. Jones, John W. Mintmire, 1988 .

Local-density-functional methods in two-dimensionally periodic systems. Hydrogen and beryllium monolayers

J. Mintmire, J. Sabin, S. Trickey, 1982 .

Molecular-Dynamics Simulations of Collisions of Buckminsterfullerene with Diamond Surfaces

J. Mintmire, C. T. White, D. Brenner, 1990 .

Largest Band Gap of All Single Walled Carbon Nanotubes

J. Mintmire, C. T. White, I. Cabria, 2003 .

Molecular-Dynamics Simulations of C 60 /He Collisions

J. Mintmire, C. T. White, D. Brenner, 1992 .

Molecular Dynamics Simulations of Elastic Response and Tensile Failure of Alumina

Frederick H. Streitz, John W. Mintmire, F. Streitz, 1996 .

Hidden one-electron interactions in carbon nanotubes revealed in graphene nanostrips.

J. Mintmire, C. T. White, Junwen Li, 2007, Nano letters.

Are fullerene tubules metallic?

White, Dunlap, J. Mintmire, 1992, Physical review letters.

Helical and rotational symmetries of nanoscale graphitic tubules.

White, Robertson, D. Robertson, 1993, Physical review. B, Condensed matter.

Energetics of nanoscale graphitic tubules.

Robertson, D. Robertson, J. Mintmire, 1992, Physical review. B, Condensed matter.

Summary Abstract: Model study of the effects of correlations on the XVV-Auger line shape of chemisorbed species

J. Mintmire, E. Economou, C. T. White, 1982 .

A comparison of the LCAO-Xα method with the hartree—fock and multiple-scattering-Xα methods on carbon monoxide

J. Mintmire, J. Sabin, 1980 .

Electrostatic potentials for metal-oxide surfaces and interfaces.

F. Streitz, J. Mintmire, Mintmire, 1994, Physical review. B, Condensed matter.

Edges bring new dimension to graphene nanoribbons.

J. Mintmire, C. T. White, Junwen Li, 2010, Nano letters.

Theoretical photoelectron cross sections for chain polymers

J. Mintmire, C. T. White, 2009 .