Conformations of Perfluoropoly(oxyethylene) from Ab Initio Electronic Structure Calculations on Model Molecules
- Grant D. Smith
- Richard L. Jaffe
- et al.
- 1995
- Macromolecules
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23 results for Grant D. Smith
Stochastic Dynamics Simulations of n-Alkane Melts Confined between Solid Surfaces: Influence of Surface Properties and Comparison with Scheutjens-Fleer Theory
- T. Matsuda
- G.D. Smith
- et al.
- 1995
- Macromolecules
An optimized united atom model for simulations of polymethylene melts
- Wolfgang Paul
- Do Y. Yoon
- et al.
- 1995
- The Journal of Chemical Physics
Conformations of 2,4-dichloropentane and 2,4,6-trichloroheptane and a force field for poly(vinyl chloride) based upon ab initio electronic structure calculations
- Grant D. Smith
- Peter J. Ludovice
- et al.
- 1995
- Journal of Physical Chemistry®
Comparison of Equilibrium and Dynamic Properties of Polymethylene Melts of n-C44H90 Chains from Simulations and Experiments
- Grant D. Smith
- Do Y. Yoon
- et al.
- 1994
- Macromolecules
Conformational Characteristics of Poly(tetrafluoroethylene) Chains Based upon ab Initio Electronic Structure Calculations on Model Molecules
- Grant D. Smith
- Richard L. Jaffe
- et al.
- 1994
- Macromolecules
Conformational characteristics of dimethoxymethane based upon ab initio electronic structure calculations
- Grant D. Smith
- Richard L. Jaffe
- et al.
- 1994
- Journal of Physical Chemistry
Equilibrium and dynamic properties of polymethylene melts from molecular dynamics simulations. I. n-tridecane
- Grant D. Smith
- Do Y. Yoon
- 1994
- The Journal of Chemical Physics
Conformational characteristics of poly(oxymethylene) based upon ab initio electronic structure calculations on model molecules
- Grant D. Smith
- Richard L. Jaffe
- et al.
- 1994
- Journal of Physical Chemistry
A comparison of a united atom and an explicit atom model in simulations of polymethylene
- Do Y. Yoon
- Grant D. Smith
- et al.
- 1993
- The Journal of Chemical Physics