permittivity/ dipole moment fluctuationfinite systemsdielectric constantmolecular dynamics simulationfrequency dependence/ A5150 Electrical phenomena in gases A0260 Numerical approximation and analysis A0540 Fluctuation phenomena, random processes, and Brownian motion A7720 Dielectric permittivity...
Derivation of a total charge and dipole moment-preserving population analysis for FSGO wavefunctions A population analysis scheme is derived especially for floating spherical gaussian orbital (FSGO) wavefunctions. The overlap populations are redistributed ... LL Shipman - 《Chemical Physics Letters》 被...
It was found the estimated dynamic sizes of ions in aqueous solution to be compatible with the average ion–water distances, and to be always greater than crystallographic ionic radii in size. A new relation between the limiting ion mobility and the solvent molecular dipole moment in solvation ...
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A new derivation of the Kirkwood-Fröhlich equation is presented. It follows from this derivation that within the limitation that the electric properties of the molecules are characterized completely by a permanent dipole moment and a constant, scalar polarizability, the Kirkwood-Fröhlich equation ho...
The Half-Life of a chemical reaction can be defined as the time taken for the concentration of a given reactant to reach 50% of its initial concentration.
Electric dipole moment and electronic transition moment functions have been calculated for the X2+ and A2 states of CO+ using MCSCF wavefunctions and flexible basis sets. From these data and RKR potential energy functions, transition pro... P Rosmus,Werner, Hans-Joachim - 《Molecular Physics》...
possible. He used his equations to find the wave equation that would describe such a wave and determined that it would travel at the speed of light. This was a "eureka" moment of sorts; he realized that light is a form of electromagnetic radiation, working just like the field he imagin...
Electromechanical Modeling of a Permanent-Magnet Spherical Actuator Based on Magnetic-Dipole-Moment Principle Theoretical modeling in any engineering design is of paramount importance as it establishes the interrelationship between variables being analyzed in a giv... CK Lim,IM Chen,Y Liang,... - 《...
Ro-vibrational spectra of C2H2 based on variational nuclear motion calculations A published ab initio-based potential energy surface and newly constructed dipole moment surface of acetylene have been used to compute vibrational band in... A Urru,IN Kozin,G Mulas,... - 《Molecular Physics》 被引...