Oxaliplatinium is an anticancer drug, used in chemotherapy. To investigate the oxaliplatinium structure based on frontier orbital analysis, thermodynamic analysis and natural bond orbital (NBO) theory is the main objective of the present research. The calculated HOMO and LUMO energies show that charge transfer occurs within molecule. The NBO charges, the values of electric dipole moment (µ) of ...

When the electromagnetic field couples to the electric dipole moment of the Continuation of lecture 13 11/5/09 region under consideration, we see that the absorption spectrum, except for simple frequency-dependent factors, is proportional to the Fourier transform of the correlation function of the dipole moment. Using the methods we have been discussing, that correlation function can be written as

For the water molecule, the dipole is the first nonzero multipole moment; it represents the polarity of the molecule and has been widely used in describing solvation behavior. A rather wide range of theoretically determined values for the total molecular dipole moment of water in condensed phases has been reported in the literature. This paper describes a means by which the average total dipole...

We study the one-loop contribution of the effective flavor changing neutral couplings (FCNC) tcZ to the charm quark electric dipole moment. Using the known limits on the top and charm quarks electric dipole moments, we place limits on these FCNC anomalous couplings. Corresponding author email address: [email protected] 1

We present measurements of Stark interference in the 6S0 → 6P1 transition in Hg, a process whereby a static electric field E mixes magnetic dipole and electric quadrupole couplings into an electric dipole transition, leading to E-linear energy shifts similar to those produced by a permanent atomic electric dipole moment (EDM). The measured interference amplitude, aSI = (aM1 + aE2) = (5.8 ± 1.5)...

A complete one loop analysis of the chromoelectric dipole contribution to the electric dipole moment (edm) of the quarks and of the neutron in N=1 supergravity including the gluino, chargino and neutralino exchange contributions and exhibiting the dependence on the two CP violating phases allowed in the soft SUSY breaking sector of minimal supergravity models is given. It is found that in signi...

We describe a novel approach for the calculation of local electric dipole moments for periodic systems. Since the position operator is ill-defined in periodic systems, maximally localized Wannier functions based on the Berry-phase approach are usually employed for the evaluation of local contributions to the total electric dipole moment of the system. We propose an alternative approach: within ...

The Schrödinger equation for a point charge in the field of a stationary electric dipole admits bound states only when the dipole moment exceeds a certain critical value. It is not hard to see why this might be the case, but it is surprisingly difficult to calculate the critical dipole moment. The analogous problem should be simpler in one and two dimensions, but a general theorem forbids criti...

A search for the electron electric dipole moment d, is carried out with two counterpropagating beams of ground-state 'Tl. The experiment employs atomic-beam magnetic resonance with separated oscillatory fields combined with laser state selection and fluorescence detection. Extensive tests were made for possible systematic effects. The result for the atomic electric dipole moment is d, =(1.6+'5....