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Results: 1-25 | 26-31
Results: 1-25/31
Comparison of transition state theory rate constants for internal conformational motion with those obtained from molecular dynamics simulations
Authors: Hathorn, BC Sumpter, BG Noid, DW
Citation: Bc. Hathorn et al., Comparison of transition state theory rate constants for internal conformational motion with those obtained from molecular dynamics simulations, POLYMER, 43(2), 2002, pp. 615-620
Molecular dynamics simulation of collinear polymer nanoparticle collisions: Reaction and scattering
Authors: Hathorn, BC Sumpter, BG Barnes, MD Noid, DW
Citation: Bc. Hathorn et al., Molecular dynamics simulation of collinear polymer nanoparticle collisions: Reaction and scattering, J PHYS CH B, 105(46), 2001, pp. 11468-11473
Analysis of eigenvalues and eigenvectors of polymer particles: random normal modes
Authors: Fukui, K Sumpter, BG Noid, DW Yang, C Tuzun, RE
Citation: K. Fukui et al., Analysis of eigenvalues and eigenvectors of polymer particles: random normal modes, COMP TH POL, 11(3), 2001, pp. 191-196
Internal coordinate phase space analysis of macromolecular systems
Authors: Mazur, AK Sumpter, BG Noid, DW
Citation: Ak. Mazur et al., Internal coordinate phase space analysis of macromolecular systems, COMP TH POL, 11(1), 2001, pp. 35-47
Large-scale normal coordinate analysis for molecular structures
Authors: Yang, C Peyton, BW Noid, DW Sumpter, BG Tuzun, RE
Citation: C. Yang et al., Large-scale normal coordinate analysis for molecular structures, SIAM J SC C, 23(2), 2001, pp. 563-582
Contribution of restricted rotors to quantum sieving of hydrogen isotopes - art. no. 022903
Authors: Hathorn, BC Sumpter, BG Noid, DW
Citation: Bc. Hathorn et al., Contribution of restricted rotors to quantum sieving of hydrogen isotopes - art. no. 022903, PHYS REV A, 6402(2), 2001, pp. 2903
An efficient algorithm for calculating the heat capacity of a large-scale molecular system
Authors: Yang, C Noid, DW Sumpter, BG Sorensen, DC Tuzun, RE
Citation: C. Yang et al., An efficient algorithm for calculating the heat capacity of a large-scale molecular system, MACROMOL TH, 10(8), 2001, pp. 756-761
On the distribution of fragment sizes in the fragmentation of polymer chains
Authors: Hathorn, BC Sumpter, BG Noid, DW
Citation: Bc. Hathorn et al., On the distribution of fragment sizes in the fragmentation of polymer chains, MACROMOL TH, 10(6), 2001, pp. 587-591
Generation, characterization, and modeling of polymer micro- and nano-particles
Authors: Otaigbe, JU Barnes, MD Fukui, K Sumpter, BG Noid, DW
Citation: Ju. Otaigbe et al., Generation, characterization, and modeling of polymer micro- and nano-particles, ADV POLYM S, 154, 2001, pp. 1-86
Quantum mechanical model of localized electrons on the surface of polymer nanospheres
Authors: Gray, SK Sumpter, BG Noid, DW Barnes, MD
Citation: Sk. Gray et al., Quantum mechanical model of localized electrons on the surface of polymer nanospheres, CHEM P LETT, 333(3-4), 2001, pp. 308-313
Domain-size effects in optical diffraction from polymer/composite microparticles
Authors: Ford, JV Sumpter, BG Noid, DW Barnes, MD Hill, SC Hillis, DB
Citation: Jv. Ford et al., Domain-size effects in optical diffraction from polymer/composite microparticles, J PHYS CH B, 104(3), 2000, pp. 495-502
Large-scale normal coordinate analysis of macromolecular systems: Thermal properties of polymer particles and crystals
Authors: Fukui, K Sumpter, BG Noid, DW Yang, C Tuzun, RE
Citation: K. Fukui et al., Large-scale normal coordinate analysis of macromolecular systems: Thermal properties of polymer particles and crystals, J PHYS CH B, 104(3), 2000, pp. 526-531
Calculating the density of states for large-scale molecular systems
Authors: Yang, C Fukui, K Sumpter, BG Noid, DW Tuzun, RE
Citation: C. Yang et al., Calculating the density of states for large-scale molecular systems, MACROMOL TH, 9(7), 2000, pp. 428-432
A dynamical method for calculating the near infrared spectra of molecules and macromolecules
Authors: Wozny, CE Noid, DW Sumpter, BG
Citation: Ce. Wozny et al., A dynamical method for calculating the near infrared spectra of molecules and macromolecules, J NEAR IN S, 8(2), 2000, pp. 133-150
Spectra analysis for macromolecular systems: Chain-length effects in polymer particles
Authors: Fukui, K Sumpter, BG Noid, DW Yang, C Tuzun, RE
Citation: K. Fukui et al., Spectra analysis for macromolecular systems: Chain-length effects in polymer particles, J POL SC PP, 38(13), 2000, pp. 1812-1823
Computation of internal coordinates, derivatives, and gradient expressions: Torsion and improper torsion
Authors: Tuzun, RE Noid, DW Sumpter, BG
Citation: Re. Tuzun et al., Computation of internal coordinates, derivatives, and gradient expressions: Torsion and improper torsion, J COMPUT CH, 21(7), 2000, pp. 553-561
Material homogeneity and structural dynamics in polymer-electrolyte composite microparticles
Authors: Ford, JV Sumpter, BG Noid, DW Barnes, MD
Citation: Jv. Ford et al., Material homogeneity and structural dynamics in polymer-electrolyte composite microparticles, POLYMER, 41(22), 2000, pp. 8075-8082
Atomistic dynamics of nanoscale polymer particles
Authors: Fukui, K Sumpter, BG Barnes, MD Noid, DW
Citation: K. Fukui et al., Atomistic dynamics of nanoscale polymer particles, MACROMOLEC, 33(16), 2000, pp. 5982-5987
Observation of size oscillations in poly(ethylene) glycol/electrolyte composite microparticles
Authors: Ford, JV Sumpter, BG Noid, DW Barnes, MD
Citation: Jv. Ford et al., Observation of size oscillations in poly(ethylene) glycol/electrolyte composite microparticles, CHEM P LETT, 316(3-4), 2000, pp. 181-185
Time-averaged normal coordinate analysis of polymer particles and crystals
Authors: Noid, DW Fukui, K Sumpter, BG Yang, C Tuzun, RE
Citation: Dw. Noid et al., Time-averaged normal coordinate analysis of polymer particles and crystals, CHEM P LETT, 316(3-4), 2000, pp. 285-296
Refractive index dispersion functions of solid-phase polymers by multicolor optical diffraction
Authors: Ford, JV Sumpter, BG Noid, DW Barnes, MD Otaigbe, JU
Citation: Jv. Ford et al., Refractive index dispersion functions of solid-phase polymers by multicolor optical diffraction, APPL PHYS L, 77(16), 2000, pp. 2515-2517
Molecular dynamics simulation of the thermal properties of nanoscale polymer particles
Authors: Fukui, K Sumpter, BG Barnes, MD Noid, DW Otaigbe, JU
Citation: K. Fukui et al., Molecular dynamics simulation of the thermal properties of nanoscale polymer particles, MACROMOL TH, 8(1), 1999, pp. 38-45
Collision dynamics and surface wetting of nano-scale polymer particles on substrates
Authors: Fukui, K Sumpter, BG Runge, K Kung, CY Barnes, MD Noid, DW
Citation: K. Fukui et al., Collision dynamics and surface wetting of nano-scale polymer particles on substrates, CHEM PHYS, 244(2-3), 1999, pp. 339-349
Semi-empirical study of a prototype rotaxane-based molecular shuttle
Authors: Sohlberg, K Sumpter, BG Noid, DW
Citation: K. Sohlberg et al., Semi-empirical study of a prototype rotaxane-based molecular shuttle, J MOL ST-TH, 491, 1999, pp. 281-286
Homogeneous polymer blend microparticles with a tunable refractive index
Authors: Barnes, MD Kung, CY Lermer, N Fukui, K Sumpter, BG Noid, DW Otaigbe, JU
Citation: Md. Barnes et al., Homogeneous polymer blend microparticles with a tunable refractive index, OPTICS LETT, 24(3), 1999, pp. 121-123
Risultati: 1-25 | 26-31