共 47 条
- [31] Structural and Spectroscopic Properties of Methanediol in Aqueous Solutions from Quantum Chemistry Calculations and Ab Initio Molecular Dynamics Simulations JOURNAL OF PHYSICAL CHEMISTRY A, 2015, 119 (02): : 290 - 298
- [32] United atom force field for molecular dynamics simulations of 1,4-polybutadiene based on quantum chemistry calculations on model molecules J Phys Chem A, 7 (1200-1208):
- [33] United atom force field for molecular dynamics simulations of 1,4-polybutadine based on quantum chemistry calculations on model molecules JOURNAL OF PHYSICAL CHEMISTRY A, 1998, 102 (07): : 1200 - 1208
- [34] The bulk and surface structure of potassium and lithium silicate melts at 1700K: A comparison of data from sessile and pendant drop measurements and molecular dynamics simulations GLASS SCIENCE AND TECHNOLOGY-GLASTECHNISCHE BERICHTE, 2000, 73 : 430 - 440