Computational and experimental approaches to determining the structure and interaction potentials of prototypical biological systems
This paper presents an extensive survey of all previous experimental and high level theoretical predictions of binding energies and intermolecular distances for benzene: small molecule complexes, along with a brief overview of the techniques and methods used to obtain these data. Although equilibrium properties of these complexes are well within reach using high level theoretical methods that are currently available, obtaining agreement between experimental and theoretical values is harder, as...[Show more]
|Collections||ANU Research Publications|
|Source:||Journal of Computational Methods in Sciences and Engineering|
|01_Crittenden_Computational_and_experimental_2009.pdf||349.38 kB||Adobe PDF||Request a copy|
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