论文信息 - A priori modeling of chemical reactions on a grid based virtual laboratory - 字舞流文

A priori modeling of chemical reactions on a grid based virtual laboratory

Antonio Laganà | Sergio Rampino | Kenneth Ruud | Stefano Evangelisti | Antonio Monari | Elda Rossi | K. Ruud | A. Laganà | S. Rampino | A. Monari | E. Rossi | S. Evangelisti

[1] D. Manolopoulos,et al. ABC: a quantum reactive scattering program , 2000 .

[2] Attila Tajti,et al. The problem of interoperability: A common data format for quantum chemistry codes , 2007 .

[3] Miguel Paniagua,et al. Global fit of ab initio potential energy surfaces I. Triatomic systems , 1998 .