Sökning: "intermolecular"
Visar resultat 1 - 5 av 156 avhandlingar innehållade ordet intermolecular.
1. An Infrared Study of Intermolecular Interactions in Gaseous Hydrogen Bonded Molecular Complexes
Sammanfattning : Intermolecular interactions are responsible for the deviations of gases from ideality, determine the three- dimensional structure and folding dynamics of biological molecules, and the binding of molecules to surfaces as in heterogeneous catalysis. The hydrogen bond is the most important intermolecular interaction. LÄS MER
2. Intermolecular interactions in hydrogen bonded 1:1 molecular complexes. A matrix isolation study
Sammanfattning : A number of matrix isolated binary hydrogen bonded complexes with water as one of the components have been investigated with FTIR in the mid and far infrared regions. Water has been found to be the hydrogen bond donor in complexes with water, ammonia, dimethyl ether and acetone. LÄS MER
3. Intermolecular interactions in liquids : a nuclear spin relaxation and computer simulation study
Sammanfattning : .... LÄS MER
4. First-principles calculations of long-range intermolecular dispersion forces
Sammanfattning : This work presents first-principles calculations of long-range intermolecular dispersion energies between two atoms or molecules as expressed in terms of the C6 dipole-dipole dispersion coefficients. In a series of publications, it has been shown by us that the complex linear polarization propagator method provides accurate ab initio and first-principles density functional theory values of the C6 dispersion coefficients in comparison with those reported in the literature. LÄS MER
5. Molecular dynamics simulations of intermolecular mechanisms in nuclear spin relaxation
Sammanfattning : .... LÄS MER
