the interaction of dppa which is an important component in cellular membrane with molecules of water asmedia, cause some changes in geometry of dppa .in this study we focused our attention on comparing thismolecule with related hydrated complexes employing different basis sets at hartree-fock levels of theory. thetheoretical nmr shielding tensor of some imported atoms were also reported.

The average persistent current (Ii of diffusive electrons in trie Hartree-Fock

We performed all-electron ab initio self-consistent field Hartree-Fock linear combination of atomic orbital, in which electronic correlation using density functional were included to perform electronic calculations in MgB2 new superconductor. Superconductivity in this compound was correlated with existence of px,y band holes at Γ point. Typeset using REVTEX

We consider, in a superspace, new operator dependent noncommutative (NC) geometries of the nonlinear quantum Hall limit related to classes of f -deformed Landau operators in the spherical harmonic well. Different NC coordinate algebras are determined using unitary representation spaces of Fock-Heisenberg tensored algebras and of the Schwinger-Fock realisation of the su(1, 1) Lie algebra. A redu...

We elaborate further the functional Schrödinger-picture approach to the quantum field in curved spacetimes using the generalized invariant method and construct explicitly the Fock space, which we relate with the thermal field theory. We apply the method to a free massive scalar field in the de Sitter spacetime, and find the exact quantum states, construct the Fock space, and evaluate the two-po...