| 1 |
High-level ab initio calculations of torsional potential of phenol, anisole, and o-hydroxyanisole: Effects of intramolecular hydrogen bond
Tsuzuki S, Houjou H, Nagawa Y, Hiratani K
Journal of Physical Chemistry A, 104(6), 1332, 2000 |
| 2 |
Molecular dynamics simulation of the structure of PEO based solid polymer electrolytes
Ennari J, Neelov I, Sundholm F
Polymer, 41(11), 4057, 2000 |
| 3 |
Calculation of atomization energies by a multiconfigurational localized perturbation theory - Application for closed shell cases
Dunietz BD, Murphy RB, Friesner RA
Journal of Chemical Physics, 110(4), 1921, 1999 |
| 4 |
Linear scaling second-order Moller-Plesset theory in the atomic orbital basis for large molecular systems
Ayala PY, Scuseria GE
Journal of Chemical Physics, 110(8), 3660, 1999 |
| 5 |
United atom force field for molecular dynamics simulations of 1,4-polybutadine based on quantum chemistry calculations on model molecules
Smith GD, Paul W
Journal of Physical Chemistry A, 102(7), 1200, 1998 |
| 6 |
Inclusion Complexes of Chain Molecules with Cycloamyloses .2. Molecular-Dynamics Simulations of Polyrotaxanes Formed by Poly(Ethylene Glycol) and Alpha-Cyclodextrins
Pozuelo J, Mendicuti F, Mattice WL
Macromolecules, 30(12), 3685, 1997 |
| 7 |
Aqueous-Solution Properties of Oligo-(Ethylene Oxide) and Poly(Ethylene Oxide) by Static Light-Scattering and Intrinsic-Viscosity
Kawaguchi S, Imai G, Suzuki J, Miyahara A, Kitano T
Polymer, 38(12), 2885, 1997 |
| 8 |
A Computer-Simulation Study of the Chain Configurations in Poly(Ethylene Oxide)-Homolog Melts
Neyertz S, Brown D
Journal of Chemical Physics, 102(24), 9725, 1995 |
| 9 |
Theoretical-Studies of Dihydroxybuckminsterfullerene, C-60(Oh)(2)
Matsuzawa N, Ata M, Dixon DA
Journal of Physical Chemistry, 99(24), 9717, 1995 |
| 10 |
Thermodynamic and Hydrodynamic Size of a Dialkyl-Substituted Polysilane in a Mixed O-Solvent
Cotts PM
Macromolecules, 27(11), 2899, 1994 |
