How to prepare for IB Spanish Ab Initio?
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28 Jan 2014 10 Citations | This new approach introduces rigorous outcome validation into EM ab initio structure determination. |
18 Citations | This work is unique due to its coverage of ab-initio pilots, and the results presented here may facilitate improvements in the evaluation of individual ab-initio pilots and the teaching environment for stress contributing factors. |
| On one hand, it is important to use high-level ab initio methods to obtain reliable results. | |
15 Citations | The method has extended the applicability of the ab initio phasing by de novo models approach. |
| Our results add to the existing ab initio database for use in fitting and testing interatomic potentials. | |
24 Citations | The complementary, high-level ab initio studies supplement experimental findings, enhancing the interpretation and helping to remove the often-present ambiguities. |
20 Citations | These new findings provide a remarkable interpretation and direct comparison of the accuracies and capabilities of the GA and ab initio methods. |
| A significant improvement over earlier ab initio approaches is demonstrated and correlations are shown to have a large effect. | |
| A simple method is proposed to counteract some of these deficiencies and results thus obtained are in significantly better agreement with ab initio data. | |
42 Citations | It is shown that the latter two ab initio methods offer complementary information and their results are fairly consistent with the available data. |
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