Sökning: "N-formylglycinamide Theoretical chemistry formamide water dimer quantum chemistry molecular dynamics"
Hittade 1 avhandling innehållade orden N-formylglycinamide Theoretical chemistry formamide water dimer quantum chemistry molecular dynamics.
1. Modeling of intra- and intermolecular potentials
Sammanfattning : Modeling of interactions between molecules is investigated by theoretical means within the NEMO model. The model is based on a partitioning of the interaction energy at the Hartree-Fock level into first- and second-order perturbation theory. The interaction energy is given as a sum of electrostatic, induction, repulsion, and dispersion energies. LÄS MER
Resultatsidor:
1