Quantifying intermolecular interaction energies in organic clathrates at high pressure

First-principles intermolecular binding energies in organic molecular crystals

The intermolecular binding (lattice) energies are calculated for the molecular crystals cyclotrimethylene trinitramine, pentaerythritol, and pentaerythritol tetranitrate using the CRYSTAL 98/03 and GAUSSIAN 98 programs, the DMOL program and the CASTEP program and compared with experiment. Calculating the theoretical intermolecular binding energy as a tool for testing the intrinsic quality of a ...

Intermolecular Interaction Energies in Molecular Crystals of 4-Formylcoumarin Derivatives

Most of the crystallographic analysis that follows from structure determination involves interpretation of the molecular geometry and a working knowledge of a variety of intraand intermolecular interactions based purely on geometrical considerations (distance and angle cut off criteria). The missing link is to explore the energetics associated with these interactions, particularly intermolecula...

Intermolecular interaction of carbon disulfide under pressure (high presssure and effective negative solvation pressure)

On the quantum loop weak interaction corrections at high energies

We perform comparative analyses of quantum loop corrections to some observationally important twoand three-point Green functions within two distinct symmetry-breaking mechanisms. It appears that the existing high-energy data, neutrino experiments and present astrophysical and cosmological constraints strongly disfavour the Higgs mechanism, while the introduction of the noncontractible space as ...

Qcd at High Energies

The following topics in perturbative QCD are reviewed: recent theoretical progress in higher-order calculations; soft-gluon resummation for hard-scattering processes at large ET and high x; low-x behaviour of structure functions and recent theoretical results on BFKL dynamics; infrared renormalons and power corrections to perturbative predictions; updated summary of αS measurements. CERN-TH/97-...