The previous calculations for the susceptibility and shielding of lithium hydride are extended
and refined. It is shown that the basis sets for the first‐order wavefunction are invariant …

Current memory forensic tools concentrate mainly on system-related information like
processes and sockets. There is a need for more memory forensic techniques to extract user-…

Optimal basis sets within the perturbed Hartree—Fock theory have been found for the first‐order
wavefunction for the hydrogen fluoride molecule for the operators x, z, M x (F), and M x (…

A minimum basis set of STO's has been used to compute wavefunctions for eclipsed and
staggered C 2 H 6 and for several forms of H 2 O 2 . For each form all the exponents and free …

Portions of the electronic potential energy surface corresponding to various nuclear geometries
of the H 4 molecular system have been studied. The variational calculations employed …

Molecular SCF orbitals of B 2 H 6 have been computed from optimized minimum basis sets
which employ isotropic or anisotropic atomic 2p orbitals. These SCF wavefunctions have …

We have totally resolved the structure of the tran-sition state for geometrical isomerization of
cyclopropane within the full 21-dimensional hypersurface. The detailed procedure of our …

The results show that rats drink large volumes of a palatable saccharine solution and rely
on the kidneys to eliminate excess water. Rats in fluid balance at the start of the experiment …

The magnetic susceptibility and nuclear magnetic shielding in AlH and N 2 have been
calculated using coupled Hartree–Fock theory. The perpendicular component of the AlH …

Ab initio electronic structure calculations show that a termolecular, six-centre reaction path
for bond exchange among hydrogen molecules is energetically accessible, whereas there …