Sentence examples for molecular Mechanics code from inspiring English sources
First, building the solid interspace between two different crystals in a non-periodic situation is achieved using the ab initio and molecular mechanics code GenMolTM.
Validation of this approach is discussed on the case study of 46 energetic crystal compounds, using the semi Ab Initio and Molecular Mechanics code GenMol™.
In practice, we fitted the molecular mechanics energies to those calculated ab initio with the GAMESS-US code.
Quantum molecular mechanics simulations may help to explain the mechanism of proton transfer during 3′-processing.
Molecular mechanics also helps in identifying the role of amino acids in the assembly mechanisms [42].
The conformations of rings with 7 12 carbons have been special targets for study by molecular mechanics.
He is trained to deal with the building blocks of computers – density, molecular mechanics, semiconductors, and, crucially, materials that might make good semiconductors.
Molecular mechanics method.
Chemistry at HARvard molecular mechanics.
Merck molecular mechanics force field.
