Theoretical studies of van der Waals molecules and intermolecular forces

No abstract available

AD Buckingham，PW Fowler，JM Hutson - 《Chemical Reviews》

Electronic structure and stability of different crystal phases of magnesium oxide

Three different crystal phases of magnesium oxide [B1 (NaCl), B2 (CsCl), and B8(inverse NiAs)] are investigated theoretically. An ab initio all-electron li...

M Causà，R Dovesi，C Pisani，... - 《Physical Review B Condensed Matter》

An investigation of three‐body effects in intermolecular forces. II. Far‐infrared vibration–rotation–tunneling laser spectroscopy of Ar2HCl

A second Ar2HCl intermolecular vibration–rotation band centered at 37.2 cm1has been measured and assigned as ab‐type transition originating from the grou...

MJ Elrod，DW Steyert，RJ Saykally - 《Journal of Chemical Physics》

Hartree-Fock study of phase changes in ZnO at high pressure

The total energy of ZnO as a function of unit cell volume has been calculated for the zinc-blende, wurtzite, and rocksalt structures by the ab initio all-e...

JE Jaffe，AC Hess - 《Physical Review B》

Controlled transformation rate thermal analysis: the hidden face of thermal analysis

Controlled transformation rate thermal analysis is defined here as a general thermoanalytical method where, instead of controlling the temperature (as in c...

J Rouquerol - 《Thermochimica Acta》

Electronic core levels of the IIB-VIA compounds

X-ray induced electron-emission measurements were used to determine the energy levels of core electrons in ZnO, ZnS, ZnSe, ZnTe, CdO, CdS, CdSe, CdTe, HgS, HgSe, and HgTe. The investigated energy range extends from the bottom of the vale...

CJ Vesely - 《Phys.rev.b》

A Gene in Drosophila That Produces a New Chromosomal Banding Pattern

A change in the banding pattern of the distal end of the third chromosome in Drosophila pseudoobscura has been found. It appears to be produced by homozygo...

L Levine，L Van Valen - 《Science》

In-framework ion dipole polarizabilities in non-porous and porous silicates and aluminosilicates, determined from Auger electron spectroscopy data

The in-framework ion dipole polarizability is determined by evaluating the absolute extra-atomic relaxation energy during the two-electron Auger process. A...

JM Pellenq，D Nicholson - 《Journal of the Chemical Society Faraday Transactions》

Ab initio intermolecular potentials of methane, nitrogen and methane + nitrogen and their use in Monte Carlo simulations of fluids and fluid mixtures

Intermolecular pair potentials of methane and of methane + nitrogen have been calculated by quantum chemical ab initio methods. The repulsive and electrost...

H Schindler，R Vogelsang，V Staemmler，... - 《Molecular Physics》

Hartree-Fock study of phase changes in ZnO at high pressure

DOI: https://doi.org/10.1103/PhysRevB.48.7903

JE Jaffe，AC Hess - 《Physical Review B Condensed Matter》