Molecular modeling approach for contrasting the interaction of ethane and hexafluoroethane with carbon dioxide - Comment

被引:22
作者
Han, YK
Jeong, HY
机构
[1] KUMHO CHEM LABS,TAEJON 305600,SOUTH KOREA
[2] KOREA ADV INST SCI & TECHNOL,DEPT CHEM,TAEJON 305701,SOUTH KOREA
关键词
D O I
10.1021/jp962820x
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 [物理化学]; 081704 [应用化学];
摘要
引用
收藏
页码:5604 / 5604
页数:1
相关论文
共 3 条
[1]
Molecular modeling approach for contrasting the interaction of ethane and hexafluoroethane with carbon dioxide [J].
Cece, A ;
Jureller, SH ;
Kerschner, JL ;
Moschner, KF .
JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (18) :7435-7439
[2]
MONOMER GEOMETRY RELAXATION AND THE BASIS SET SUPERPOSITION ERROR [J].
MAYER, I ;
SURJAN, PR .
CHEMICAL PHYSICS LETTERS, 1992, 191 (05) :497-499
[3]
On the importance of the fragment relaxation energy terms in the estimation of the basis set superposition error correction to the intermolecular interaction energy [J].
Xantheas, SS .
JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (21) :8821-8824