A GENERALIZED GAY-BERNE INTERMOLECULAR POTENTIAL FOR BIAXIAL PARTICLES
A GENERALIZED GAY-BERNE INTERMOLECULAR POTENTIAL FOR BIAXIAL PARTICLES
复制标题
DOI：
10.1016/0009-2614(95)00212-m
复制
发表时间：
1995-04-21
影响因子：
2.8
通讯作者：
ZANNONI, C
中科院分区：
文献类型：
--
作者：
BERARDI, R;FAVA, C;ZANNONI, C
一个双轴版本的Gay-Berne势用于模拟单轴各向异性分子的开发。这种新型的双轴势可用于处理分子沿其三个轴沿着具有不同吸引力和排斥力的贡献。
A biaxial version of the Gay-Berne potential used to model uniaxial anisotropic molecules is developed. This novel biaxial potential can be used to deal with molecules with different attractive and repulsive contributions along their three axes.