例句與造句

1. The programs used in computational chemistry are based on many different ab initio methods ".
2. Ab initio methods need to define a level of theory ( the method ) and a basis set.
3. Pseudogene prediction utilises existing sequence similarity and ab initio methods, whilst adding additional filtering and methods of identifying pseudogene characteristics.
4. He applies various experimental techniques using Vertical Scanning Interferometry, Electron and Atomic Force Microscopy and modeling techniques like Monte Carlo and ab initio methods.
5. BeH has only 5 electrons and is the simplest open shell neutral molecule, and is therefore extremely important for the benchmarking of ab initio methods.
6. It's difficult to find ab initio methods in a sentence. 用ab initio methods造句挺難的
7. It is also possible to work on theoretical data, calculating the energy for different values of volume by ab initio methods, and then regressing these results.
8. From this theory, an attempt can be made to predict the band structure of a particular material, however most ab initio methods for electronic structure calculations fail to predict the observed band gap.
9. I am not an expert on this area, but I suggest that the section should start with the use of ab initio methods to calculate the potential energy hypersurface in detail and provide a surface for classical dynamics.
10. One would not include something like " 2, 3-dichloro-cis-butenol "-ab initio methods for calculating the UV spectra for that system would simply be intractable in the current state of affairs .-- HappyCamper 15 : 40, 27 September 2006 ( UTC)
11. Although it is theoretically possible to calculate some of these parameters using ab initio methods like COSMO-RS, several major problems with this approach exist; firstly, and most importantly, the computational resources for such calculations are immense-scaling extremely unfavourably for systems with more than a few atoms.
12. Some hydration structures are quite large : the magic ion number structure ( called " magic " because of its increased stability with respect to hydration structures involving a comparable number of water molecules  this is a similar usage of the word " magic " as in ab initio method molecular dynamics simulations have shown that, on average, the hydrated proton resides on the surface of the cluster.