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1

Spectra analysis for macromolecular systems: Chain-length effects in polymer particles

Kazuhiko Fukui, Bobby G. Sumpter, Donald W. Noid, Chao Yang, Robert E. Tuzun

Journal:

Journal of Polymer Science Part B: Polymer Physics

Year:

2000

Language:

english

File:

PDF, 321 KB

english, 2000

2

Neural Network-Graph Theory Approach to the Prediction of the Physical Properties of Organic Compounds

Gakh, Andrei A., Gakh, Elena G., Sumpter, Bobby G., Noid, Donald W.

Journal:

Journal of Chemical Information and Modeling

Year:

1994

Language:

english

File:

PDF, 798 KB

english, 1994

3

On the correspondence between classical and quantum mechanics in macromolecular systems: Too much classical chaos

Robert E. Tuzun, Bobby G. Sumpter, Donald W. Noid

Journal:

Macromolecular Theory and Simulations

Year:

1998

Language:

english

File:

PDF, 591 KB

english, 1998

4

An Efficient Algorithm for Calculating the Heat Capacity of a Large-Scale Molecular System

Chao Yang, Donald W. Noid, Bobby G. Sumpter, Danny C. Sorensen, Robert E. Tuzun

Journal:

Macromolecular Theory and Simulations

Year:

2001

Language:

english

File:

PDF, 125 KB

english, 2001

5

Neural-net extrapolations of heat capacities of polymers to low temperatures

Jerry A. Darsey, Donald W. Noid, Bernhard Wunderlich, Leftery Tsoukalas

Journal:

Macromolecular Rapid Communications

Year:

1991

Language:

english

File:

PDF, 285 KB

english, 1991

6

Semiclassical theory of group vibrations for linear polymer chains

Christopher E. Wozny, Bobby G. Sumpter, Donald W. Noid

Journal:

Macromolecular Theory and Simulations

Year:

1994

Language:

english

File:

PDF, 884 KB

english, 1994

7

Estimation of the properties of hydrofluorocarbons by computer neural networks

Andrei A. Gakh, Elena G. Gakh, Bobby G. Sumpter, Donald W. Noid, Lee D. Trowbridge, David A. Harkins

Journal:

Journal of Fluorine Chemistry

Year:

1995

Language:

english

File:

PDF, 371 KB

english, 1995

8

Continuum methods of mechanics as a simplified approach to structural engineering of nanostructures

Sohlberg, Karl, Sumpter, Bobby G, Tuzun, Robert E, Noid, Donald W

Journal:

Year:

1998

Language:

english

File:

PDF, 250 KB

english, 1998

9

Dynamics of flow inside carbon nanotubes

Tuzun, Robert E, Noid, Donald W, Sumpter, Bobby G, Merkle, Ralph C

Journal:

Year:

1997

Language:

english

File:

PDF, 288 KB

english, 1997

10

Dynamics of fluid flow inside carbon nanotubes

Tuzun, Robert E, Noid, Donald W, Sumpter, Bobby G, Merkle, Ralph C

Journal:

Year:

1996

Language:

english

File:

PDF, 313 KB

english, 1996

11

On the importance of quantum mechanics for nanotechnology

Noid, Donald W, Tuzun, Robert E, Sumpter, Bobby G

Journal:

Year:

1997

Language:

english

File:

PDF, 157 KB

english, 1997

12

Symplectic integrators for large scale molecular dynamics simulations: A comparison of several explicit methods

Gray, Stephen K., Noid, Donald W., Sumpter, Bobby G.

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 1.22 MB

english, 1994

13

Computational Studies, Nanotechnology, and Solution Thermodynamics of Polymer Systems || Polymer Solutions at High Pressures: Pressure-Induced Miscibility and Phase Separation in Near-critical and Supercritical Fluids

Dadmun, M. D., Van Hook, W. Alexander, Noid, Donald W., Melnichenko, Yuri B., Sumpter, Bobby G.

Year:

2002

Language:

english

File:

PDF, 586 KB

english, 2002

14

Docking envelopes for the assembly of molecular bearings

Tuzun, Robert E, Sohlberg, Karl, Noid, Donald W, Sumpter, Bobby G

Journal:

Year:

1998

Language:

english

File:

PDF, 663 KB

english, 1998

15

Treatment of multibody interactions in molecular simulations of systems with general bond networks

Tuzun, Robert E., Noid, Donald W., Sumpter, Bobby G.

Journal:

Journal of Computational Chemistry

Year:

1997

Language:

english

File:

PDF, 189 KB

english, 1997

16

Efficient treatment of out-of-plane bend and improper torsion interactions in MM2, MM3, and MM4 molecular mechanics calculations

Tuzun, Robert E., Noid, Donald W., Sumpter, Bobby G.

Journal:

Journal of Computational Chemistry

Year:

1997

Language:

english

File:

PDF, 152 KB

english, 1997

17

Computation of internal coordinates, derivatives, and gradient expressions: torsion and improper torsion

Tuzun, Robert E., Noid, Donald W., Sumpter, Bobby G.

Journal:

Journal of Computational Chemistry

Year:

2000

Language:

english

File:

PDF, 190 KB

english, 2000

18

Gas atomization of polymers. II. Computational neural network modeling

Joshua U. Otaigbe, Donald W. Noid, Bobby Sumpter

Journal:

Advances in Polymer Technology

Year:

1998

Language:

english

File:

PDF, 254 KB

english, 1998

19

Molecular dynamics simulation of the thermal properties of nano-scale polymer particles

Kazuhiko Fukui, Bobby G. Sumpter, Mike D. Barnes, Donald W. Noid, Joshua U. Otaigbe

Journal:

Macromolecular Theory and Simulations

Year:

1999

Language:

english

File:

PDF, 264 KB

english, 1999

20

Calculating the density of states for large-scale molecular systems

Chao Yang, Kazuhiko Fukui, Bobby G. Sumpter, Donald W. Noid, Robert E. Tuzun

Journal:

Macromolecular Theory and Simulations

Year:

2000

Language:

english

File:

PDF, 86 KB

english, 2000

21

Normal Coordinate Analysis for Polymer Systems: Capabilities and New Opportunities

Robert E. Tuzun, Donald W. Noid, Bobby G. Sumpter, Chao Yang

Journal:

Macromolecular Theory and Simulations

Year:

2002

Language:

english

File:

PDF, 8.17 MB

english, 2002

22

The correlation of rotational isomers in polyethylene-like crystals

Alexander Xenopoulos, Donald W. Noid, Bobby G. Sumpter, Bernhard Wunderlich

Journal:

Macromolecular Chemistry and Physics

Year:

1990

Language:

english

File:

PDF, 509 KB

english, 1990

23

Molecular dynamics results for a polyethylene-like crystal

Donald W. Noid, Bobby G. Sumpter, Manika Varma-Nair, Bernhard Wunderlich

Journal:

Macromolecular Rapid Communications

Year:

1989

Language:

english

File:

PDF, 208 KB

english, 1989

24

Application of atomic force microscopy (AFM) to a block copolymer and an extended chain polyethylene

Brian K. Annis, Donald W. Noid, Bobby G. Sumpter, John R. Reffner, Bernhard Wunderlich

Journal:

Macromolecular Rapid Communications

Year:

1992

Language:

english

File:

PDF, 754 KB

english, 1992

25

Existence of nonlinear resonances in polyethylene

Donald W. Noid, Bobby G. Sumpter

Journal:

Macromolecular Theory and Simulations

Year:

1992

Language:

english

File:

PDF, 743 KB

english, 1992

26

Computer simulations of atomic force microscopy: crystalline polymers and the effects of surface contaminants

Bobby G. Sumpter, Coral Getino, Donald W. Noid, Bernhard Wunderlich

Journal:

Macromolecular Theory and Simulations

Year:

1993

Language:

english

File:

PDF, 1.19 MB

english, 1993

27

Dynamics of a paraffin crystal

Guanghe L. Liang, Donald W. Noid, Bobby G. Sumpter, Bernhard Wunderlich

Journal:

Macromolecular Theory and Simulations

Year:

1993

Language:

english

File:

PDF, 527 KB

english, 1993

28

Neural networks and graph theory as computational tools for predicting polymer properties

Bobby G. Sumpter, Donald W. Noid

Journal:

Macromolecular Theory and Simulations

Year:

1994

Language:

english

File:

PDF, 824 KB

english, 1994

29

The origins of avoided crossings in polymer dispersion curves

Christopher E. Wozny, Donald W. Noid, Bobby G. Sumpter

Journal:

Macromolecular Theory and Simulations

Year:

1995

Language:

english

File:

PDF, 842 KB

english, 1995

30

Molecular dynamics treatment of torsional interactions accompanied by dissociation

Robert E. Tuzun, Donald W. Noid, Bobby G. Sumpter

Journal:

Macromolecular Theory and Simulations

Year:

1995

Language:

english

File:

PDF, 517 KB

english, 1995

31

Quantum-Monte-Carlo simulations on linear chains

Stefan N. Kreitmeier, Donald W. Noid, Bobby G. Sumpter

Journal:

Macromolecular Theory and Simulations

Year:

1996

Language:

english

File:

PDF, 687 KB

english, 1996

32

Efficient computation of potential energy first and second derivatives for molecular dynamics, normal coordinate analysis, and molecular mechanics calculations

Robert E. Tuzun, Donald W. Noid, Bobby G. Sumpter

Journal:

Macromolecular Theory and Simulations

Year:

1996

Language:

english

File:

PDF, 711 KB

english, 1996

33

On the determination and ramifications of chaos in many-body systems: A model study of polyethylene

David E. Newman, Christopher Watts, Bobby G. Sumpter, Donald W. Noid

Journal:

Macromolecular Theory and Simulations

Year:

1997

Language:

english

File:

PDF, 813 KB

english, 1997

34

Recent advances in polymer molecular dynamics simulation and data analysis

Robert E. Tuzun, Donald W. Noid, Bobby G. Sumpter, Christopher E. Wozny

Journal:

Macromolecular Theory and Simulations

Year:

1997

Language:

english

File:

PDF, 1.19 MB

english, 1997

35

Semiclassical and quantal eigenenergies in the wake potential

Jörg Müller, Joachim Burgdörfer, Donald Noid

Journal:

Chemical Physics Letters

Year:

1991

Language:

english

File:

PDF, 442 KB

english, 1991

36

Potential energy surfaces for macromolecules. A neural network technique

Bobby G. Sumpter, Donald W. Noid

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 477 KB

english, 1992

37

Computational experiments on the intramolecular energy flow in macromolecules

Bobby G. Sumpter, Donald W. Noid

Journal:

Chemical Physics

Year:

1992

Language:

english

File:

PDF, 1.03 MB

english, 1992

38

Computational experiments on the migration of internal energy in macromolecular systems

Bobby G. Sumpter, Donald W. Noid

Journal:

Chemical Physics

Year:

1994

Language:

english

File:

PDF, 2.39 MB

english, 1994

39

Quantum mechanical model of localized electrons on the surface of polymer nanospheres

Stephen K. Gray, Bobby G. Sumpter, Donald W. Noid, Michael D. Barnes

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 237 KB

english, 2001

40

Chemical potential and symmetry properties for excess electrons on polymer nanoparticles: quantum drops

Keith Runge, Bobby G. Sumpter, Donald W. Noid, Michael D. Barnes

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 104 KB

english, 1999

41

Computational simulation of polymer particle structures: vibrational normal modes using the time averaged normal coordinate analysis method

Bryan C. Hathorn, Bobby G. Sumpter, Donald W. Noid, Robert E. Tuzun, Chao Yang

Journal:

Year:

2003

Language:

english

File:

PDF, 1.20 MB

english, 2003

42

Collision dynamics and surface wetting of nano-scale polymer particles on substrates

Kazuhiko Fukui, Bobby G. Sumpter, Keith Runge, Chung-Yi Kung, Michael D. Barnes, Donald W. Noid

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 2.27 MB

english, 1999

43

Computational neural networks and the rational design of polymeric materials: the next generation polycarbonates

Charles W. Ulmer II, Douglas A. Smith, Bobby G. Sumpter, Donald I. Noid

Journal:

Computational and Theoretical Polymer Science

Year:

1998

Language:

english

File:

PDF, 402 KB

english, 1998

44

Computational simulation and modeling of polymer-composite nanoparticles: New insights and directions for advanced materials

Bobby G. Sumpter, Kazuhiko Fukui, Michael D. Barnes, Donald W. Noid

Journal:

Materials Today

Year:

1999

Language:

english

File:

PDF, 2.80 MB

english, 1999

45

Molecular dynamics simulations of macroscopic vibrations on cooling of superheated polyethylene crystals

Stefan N. Kreitmeier, Guanghe L. Liang, Donald W. Noid, Bernhard Wunderlich

Journal:

Polymer International

Year:

1995

Language:

english

File:

PDF, 750 KB

english, 1995

46

Molecular segregation and nucleation of poly(ethylene oxide) crystallized from the melt. IV. Computer modeling

Stephen Z. D. Cheng, Donald W. Noid, Bernhard Wunderlich

Journal:

Journal of Polymer Science Part B: Polymer Physics

Year:

1989

Language:

english

File:

PDF, 640 KB

english, 1989

47

Short time molecular dynamics simulations: Stressed polyethylene results

Donald W. Noid, George A. Pfeffer

Journal:

Journal of Polymer Science Part B: Polymer Physics

Year:

1989

Language:

english

File:

PDF, 682 KB

english, 1989

48

Recent developments in the formation, characterization, and simulation of micron and nano-scale droplets of amorphous polymer blends and semi-crystalline polymers

Bobby G. Sumpter, Donald W. Noid, Michael D. Barnes

Journal:

Year:

2003

Language:

english

File:

PDF, 2.02 MB

english, 2003

49

Prediction of Complexation Properties of Crown Ethers Using Computational Neural Networks

Andrei A. Gakh, Bobby G. Sumpter, Donald W. Noid, Richard A. Sachleben, Bruce A. Moyer

Journal:

Journal of Inclusion Phenomena and Macrocyclic Chemistry

Year:

1997

Language:

english

File:

PDF, 110 KB

english, 1997

50

Development of Nanosensors and Bioprobes

Tuan Vo-Dinh, Guy D. Griffin, Jean Pierre Alarie, Brian Cullum, Bobby Sumpter, Donald Noid

Journal:

Journal of Nanoparticle Research

Year:

2000

Language:

english

File:

PDF, 116 KB

english, 2000

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