implicit solvent造句

例句与造句

1. Nevertheless, it is often used with implicit solvents.
2. Free diffusion of steroid hormones across biomembranes : A simplex search with implicit solvent model calculations.
3. Previous work has shown mixed results upon the addition explicit solvent molecules to an implicit solvent.
4. The Reference Interaction Site Model ( RISM ) can be thought of being closer to implicit solvent representations.
5. In 2006, a special version of CHARMM22 / CMAP was reparametrized for consistent use with implicit solvent GBSW.
6. It's difficult to find implicit solvent in a sentence. 用implicit solvent造句挺难的
7. The software update also added the Generalized Born implicit solvent model, which broadened the PS3 client's computing capabilities.
8. The second layer could then comprise MM water molecules, with a final third layer of implicit solvent representing the bulk.
9. By continuing to a third layer with an implicit solvent the bulk water effect can be modelled more cheaply than using all explicit solvent molecules.
10. It does not fully model an implicit solvent; specifically, the model does not account for the electrostatic screening and also not for the hydrophobic effect.
11. For simulating molecules in a solvent, a choice should be made between SPC-f water models ) must be calculated expensively by the force field, while implicit solvents use a mean-field approach.
12. Structure of the SIPF complex with one chelating and one end-on coordinated glycine ligand, one chloride ligand and two axial water molecules obtained via energy minimization at Hartree-Fock level in implicit solvent.
13. "' SCP-ISM "', or "'Screened Coulomb Potentials Implicit Solvent Model "'is a continuum approximation of solvent effects for use in computer simulations of quantum chemical calculations to formally derive a continuum model of solvent effects suitable for computer simulations of small and large molecular systems.
14. Physically, this is energy cost of compressing the solvents structure when creating a void in the solvent . 2nd term-electrostatic energy; This term deals with the polarisation of the solute and solvent . 3rd term-an approximation for the quantum mechanical exchange repulsion; given the implicit solvent this term can only be approximated against high level theoretical calculations . 4th term-quantum mechanical dispersion energy; can be approximated using an averaging procedure for the solvent charge distribution.