화학공학소재연구정보센터
검색결과 : 6건
No. Article
1 NMR experiments and molecular dynamics simulations of the segmental dynamics of polystyrene
He YY, Lutz TR, Ediger MD, Ayyagari C, Bedrov D, Smith GD
Macromolecules, 37(13), 5032, 2004
2 A molecular dynamics simulation study of the influence of free surfaces on the morphology of self-associating polymers
Ayyagari C, Bedrov D, Smith GD
Polymer, 45(13), 4549, 2004
3 A quantum-chemistry-based potential for a poly(ester urethane)
Smith GD, Bedrov D, Byutner O, Borodin O, Ayyagari C, Sewell TD
Journal of Physical Chemistry A, 107(38), 7552, 2003
4 Structure of atactic polystyrene: A molecular dynamics simulation study
Ayyagari C, Bedrov D, Smith GD
Macromolecules, 33(16), 6194, 2000
5 Quantum-chemistry-based force field for simulations of dimethylnitramine
Smith GD, Bharadwaj RK, Bedrov D, Ayyagari C
Journal of Physical Chemistry B, 103(4), 705, 1999
6 Conformations of 2,4-diphenylpentane : A quantum chemistry and gas-phase molecular dynamics simulation study
Smith GD, Ayyagari C, Jaffe RL, Pekny M, Bernarbo A
Journal of Physical Chemistry A, 102(24), 4694, 1998