نتایج جستجو برای: polylautie acid gibbs freeenergy dipole moment
تعداد نتایج: 834923 فیلتر نتایج به سال:
We show that there is an analogous Aharonov-Casher topological effect on a neutral particle with electric dipole moment interacting with a magnetic field produced by magnetic monopoles.
Autoionization of Rydberg states of HfF, prepared using the optical-optical double resonance technique, holds promise to create HfF(+) in a particular Zeeman level of a rovibronic state for an electron electric dipole moment search. We characterize a vibronic band of Rydberg HfF at 54 cm(-1) above the lowest ionization threshold and directly probe the state of the ions formed from this vibronic...
Multireference configuration interaction and coupled cluster calculations have been carried out to determine the potential energy curves for the ground and low-lying excited states of the LiYb molecule. The scalar relativistic effects have been included by means of the Douglas-Kroll Hamiltonian and effective core potential and the spin-orbit couplings have been evaluated by the full microscopic...
nbo analysis, hybrid density functional theory (b3lyp/6-311+g**) and ab initio molecular orbital (hf/6-311+g**) based methods were used to study the anomeric effects (ae), electrostatic interactions, dipole-dipole interactions and steric repulsion effects on the conformational properties of 2-methoxy- (1), 2-methylthio- (2), 2-methylseleno- (3), 2-fluoro- (4), 2-chloro- (5) and 2-bromocyclohexa...
An Internet server at http://bip.weizmann.ac.il/dipol calculates the net charge, dipole moment and mean radius of any 3D protein structure or its constituent peptide chains, and displays the dipole vector superimposed on a ribbon backbone of the protein. The server can also display the angle between the dipole and a selected list of amino acid residues in the protein. When the net charges and d...
Daunorubicin (or daunomycin) and Doxorubicin (or adriamycin or 14-hydroxydaunomycin) are well-known anticancer agents used in cancer chemotherapy. They are anthracycline antibiotics and are commonly used in the treatment of a wide range of cancers. Doxorubicin and Daunorubicin were chemically conjugated to PEO-b-PCL (poly(ethylene oxide)-block-poly( -caprolactone)) nanoparticles. In this resear...
Einthoven's equations for the heart vector are based on the assumption that voltages measured across the trunk horizontally (or vertically) are proportional to the horizontal (or vertical) component of the dipole moment of the heart's electromotive forces. One necessary consequence of this assumption is that all the horizontal (or vertical) voltages be similar, and that heart vectors calculated...
Over recent decades, atomic and molecular physics has blossomed, with much of the work springing from new techniques to translationally manipulate—especially to slow and trap—gaseous atoms and molecules. The ensuing study of slow (cold) atoms and molecules has led researchers into uncharted territories—not just of atomic and molecular physics, but of physics and even chemistry at large. Achievi...
The general theory required for the calculation of analytic third energy derivatives at the coupled-cluster level of theory is presented and connected to preceding special formulations for hyperpolarizabilities and polarizability gradients. Based on our theory, we have implemented a scheme for calculating the dipole Hessian matrix in a fully analytical manner within the coupled-cluster singles ...
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