nonbonded interaction वाक्य
उदाहरण वाक्य
मोबाइल
- Different methods utizilized to estimate conformational equilibrium enthalpy include : the Westheimer method, the homomorph method, and more simply using estimated enthalpies of nonbonded interactions within a molecule.
- The output places emphasis on reporting on nonbonded interactions such as van der Waals force and electrostatics interactions in detail on the solvent, the solution, and the interactions among them.
- High selectivity in this addition can be attributed to the placement of sp 2 centers such that transannular nonbonded interactions are minimized, while also placing the methyl substitution in the more energetically favorable position for cyclodecane rings.
- Intramolecular nonbonded interactions E _ \ mathrm { nonbonded } are counted only for atoms three or more bonds apart; 1, 4 interactions are scaled down by the " fudge factor " f _ { ij } = 0.5, otherwise f _ { ij } = 1.0.
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