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1

Are fullerene tubules metallic?

Mintmire, J. W., Dunlap, B. I., White, C. T.

Journal:

Physical Review Letters

Year:

1992

Language:

english

File:

PDF, 194 KB

english, 1992

2

Helical and rotational symmetries of nanoscale graphitic tubules

White, C. T., Robertson, D. H., Mintmire, J. W.

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 231 KB

english, 1993

3

An LDA calculation of the conformation and electronic structure of polytetrafluoroethylene

M. S. Miao, P. E. Van Camp, V. E. Van Doren, J. J. Ladik, J. W. Mintmire

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 133 KB

english, 1997

4

Electronic and structural properties of carbon nanotubes

J.W. Mintmire, C.T. White

Journal:

Year:

1995

Language:

english

File:

PDF, 1.01 MB

english, 1995

5

Electrostatic-based model for alumina surfaces

F.H. Streitz, J.W. Mintmire

Journal:

Thin Solid Films

Year:

1994

Language:

english

File:

PDF, 489 KB

english, 1994

6

Energetics of nanoscale graphitic tubules

Robertson, D., Brenner, D., Mintmire, J.

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 191 KB

english, 1992

7

Electrostatic potentials for metal-oxide surfaces and interfaces

Streitz, F. H., Mintmire, J. W.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 360 KB

english, 1994

8

Conformational effects in organopolysilanes: A first-principles approach

Mintmire, J. W.

Journal:

Physical Review B

Year:

1989

Language:

english

File:

PDF, 389 KB

english, 1989

9

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

Mintmire, J. W., Sabin, J. R., Trickey, S. B.

Journal:

Physical Review B

Year:

1982

Language:

english

File:

PDF, 801 KB

english, 1982

10

Multiscale Modeling of Metal–Metal Contact Dynamics Under High Electromagnetic Stress: Timescales and Mechanisms for Joule Melting of Al–Cu Asperities

Irving, D.L., Padgett, C.W., Yin Guo,, Mintmire, J.W., Brenner, D.W.

Journal:

IEEE Transactions on Magnetics

Year:

2009

Language:

english

File:

PDF, 1.63 MB

english, 2009

11

Structural and elastic properties of transition-metal superlattices

Jones, R. S., Slotwinski, J. A., Mintmire, J. W.

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 257 KB

english, 1992

12

Theoretical treatment of the dielectric response of all- trans -polyacetylene

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

Journal:

Physical Review B

Year:

1983

Language:

english

File:

PDF, 139 KB

english, 1983

13

Local-density-functional results for the dimerization of trans -polyacetylene: Relationship to the band-gap problem

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

Journal:

Physical Review B

Year:

1987

Language:

english

File:

PDF, 163 KB

english, 1987

14

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

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

Journal:

Physical Review B

Year:

1983

Language:

english

File:

PDF, 409 KB

english, 1983

15

Molecular-dynamics simulations of void collapse in shocked model-molecular solids

Mintmire, J. W., Robertson, D. H., White, C. T.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 780 KB

english, 1994

16

Photoelectron spectra from local-density-functional calculations: Application to chain polymers

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

Journal:

Physical Review B

Year:

1987

Language:

english

File:

PDF, 409 KB

english, 1987

17

Surface passivation effects in silicon nanowires

Li, Junwen, Mintmire, John W.

Journal:

Molecular Physics

Year:

2015

Language:

english

File:

PDF, 1022 KB

english, 2015

18

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

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

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 202 KB

english, 2000

19

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

D. J. Keffer, J. W. Mintmire

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 196 KB

english, 2000

20

Fundamental Properties of Single-Wall Carbon Nanotubes

Carter T. White, John W. Mintmire

Journal:

Year:

2005

File:

PDF, 8 KB

2005

21

119. Spin magnetic susceptibility in the graphite-MF6− systems (M = As, P and Sb)

L Mattix, J Milliken, H.A Resing, J Mintmire, M Rubinstein

Journal:

Year:

1984

Language:

english

File:

PDF, 126 KB

english, 1984

22

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

John W. Mintmire, J.R. Sabin

Journal:

Chemical Physics

Year:

1980

Language:

english

File:

PDF, 811 KB

english, 1980

23

Chemical forces associated with deuterium confinement in palladium

J.W. Mintmire, B.I. Dunlap, D.W. Brenner, R.C. Mowrey, H.D. Ladouceur, P.P. Schmidt, C.T. White, W.E. O'Grady

Journal:

Physics Letters A

Year:

1989

Language:

english

File:

PDF, 408 KB

english, 1989

24

Model studies of composition-modulated CuNi superlattices

Journal:

Materials Science and Engineering: A

Year:

1990

Language:

english

File:

PDF, 228 KB

english, 1990

25

Stability of narrow zigzag carbon nanotubes

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

Journal:

International Journal of Quantum Chemistry

Year:

2003

Language:

english

File:

PDF, 141 KB

english, 2003

26

Simulations of metal nanowires

S. L. Elizondo, J. W. Mintmire

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 252 KB

english, 2005

27

Theoretical elastic properties of single-walled carbon nanotubes

J. T. Alford, B. A. Landis, J. W. Mintmire

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 174 KB

english, 2005

28

Endohedral carbon chains in chiral single-wall carbon nanotubes

Ravi K. Vadapalli, J. W. Mintmire

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 120 KB

english, 2006

29

First-principles properties of organic polymer photovoltaic materials

T. Jayasekera, M. S. Monigold, S. L. Elizondo, J. W. Mintmire

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 213 KB

english, 2007

30

Lattice vacancy effects on electron transport in multiterminal graphene nanodevices

Thushari Jayasekera, J. W. Mintmire

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 219 KB

english, 2007

31

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

Thushari Jayasekera, Pavan K. Pillalamarri, J. W. Mintmire, V. Meunier

Journal:

International Journal of Quantum Chemistry

Year:

2008

Language:

english

File:

PDF, 433 KB

english, 2008

32

First-principles simulations of chiral double-wall carbon nanotubes

Thushari Jayasekera, B. A. Landis, J. W. Mintmire

Journal:

International Journal of Quantum Chemistry

Year:

2008

Language:

english

File:

PDF, 154 KB

english, 2008

33

Electronic transport of silicon nanowires with surface defects

Junwen Li, Thushari Jayasekera, Vincent Meunier, John W. Mintmire

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 153 KB

english, 2009

34

Intermolecular potential studies of hydrogen-molecule interactions with rare-gas atoms

John W. Mintmire, John R. Sabin

Journal:

International Journal of Quantum Chemistry

Year:

1976

Language:

english

File:

PDF, 330 KB

english, 1976

35

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

Journal:

International Journal of Quantum Chemistry

Year:

1979

Language:

english

File:

PDF, 305 KB

english, 1979

36

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

J. W. Mintmire, J. R. Sabin

Journal:

International Journal of Quantum Chemistry

Year:

1980

Language:

english

File:

PDF, 269 KB

english, 1980

37

Theoretical photoelectron cross sections for chain polymers

J. W. Mintmire, C. T. White

Journal:

International Journal of Quantum Chemistry

Year:

1983

Language:

english

File:

PDF, 171 KB

english, 1983

38

Theoretical photoelectron spectra using local-density function results

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

Journal:

International Journal of Quantum Chemistry

Year:

1985

Language:

english

File:

PDF, 54 KB

english, 1985

39

Soliton defects in polyacetylene: Local-density functional results

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

Journal:

International Journal of Quantum Chemistry

Year:

1986

Language:

english

File:

PDF, 259 KB

english, 1986

40

Brillouin zone treatment in total energy calculations of Peierls distorted chains

J. W. Mintmire, C. T. White

Journal:

International Journal of Quantum Chemistry

Year:

1987

Language:

english

File:

PDF, 280 KB

english, 1987

41

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

Journal:

International Journal of Quantum Chemistry

Year:

1987

Language:

english

File:

PDF, 146 KB

english, 1987

42

Geometry optimization using local-density functional methods: Numerical aspects

R. S. Jones, J. W. Mintmire, B. I. Dunlap

Journal:

International Journal of Quantum Chemistry

Year:

1988

Language:

english

File:

PDF, 410 KB

english, 1988

43

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

Journal:

International Journal of Quantum Chemistry

Year:

1990

Language:

english

File:

PDF, 355 KB

english, 1990

44

Chemistry and phase transitions from hypervelocity impacts

C. T. White, S. B. Sinnott, J. W. Mintmire, D. W. Brenner, D. H. Robertson

Journal:

International Journal of Quantum Chemistry

Year:

1994

Language:

english

File:

PDF, 581 KB

english, 1994

45

Limits of chemical effects on cold fusion

C. T. White, B. I. Dunlap, D. W. Brenner, R. C. Mowrey, J. W. Mintmire

Journal:

Journal of Fusion Energy

Year:

1990

Language:

english

File:

PDF, 351 KB

english, 1990

46

Properties of fullerene nanotubules

J.W. Mintmire, D.H. Robertson, C.T. White

Journal:

Journal of Physics and Chemistry of Solids

Year:

1993

Language:

english

File:

PDF, 627 KB

english, 1993

47

10.1038/27801

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

Journal:

Year:

1998

Language:

english

File:

PDF, 270 KB

english, 1998

48

Reactive Bond-Order Simulations Using Both Spatial and Temporal Approaches to Parallelism

Steven J. Stuart, Yang Li, Oyeon Kum, J. W. Mintmire, Arthur F. Voter

Journal:

Structural Chemistry

Year:

2004

Language:

english

File:

PDF, 195 KB

english, 2004

49

Edges Bring New Dimension to Graphene Nanoribbons

Gunlycke, Daniel, Li, Junwen, Mintmire, John W., White, Carter T.

Journal:

Year:

2010

Language:

english

File:

PDF, 425 KB

english, 2010

50

First-principles band structures of armchair nanotubes

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

Journal:

Applied Physics A: Materials Science & Processing

Year:

1998

Language:

english

File:

PDF, 376 KB

english, 1998