Cage molecules containing elements of groups V and VI. II. Molecular dynamics study of P4S3 and P3−7
作者： G. Seifert , R. O. Jones
DOI: 10.1063/1.461992
关键词: Ion 、 Computational chemistry 、 Isomerization 、 Molecule 、 Bond length 、 Chemistry 、 Cage 、 Molecular dynamics
摘要: Molecular dynamics (MD) simulations have been performed to determine the stability of cagelike structure seven‐membered systems P3−7 and P4S3. In both cases cage remains intact during several picoseconds. However, fluxional behavior trianion could be observed directly, whereas no isomerization took place in
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