Accurate potential energy curves for Tl+–Rg (Rg=He–Rn): spectroscopy and transport coefficients
نویسندگان
چکیده
منابع مشابه
Accurate potential energy curves for HeO-, NeO-, and ArO-: spectroscopy and transport coefficients.
We calculate accurate potential energy curves for HeO(-), NeO(-), and ArO(-), including the full counterpoise correction and allowing for spin-orbit effects. Comparison with previous curves is presented, where these are available. The three curves, (2)Sigma(12) (+), (2)Pi(12), and (2)Pi(32), are used to derive spectroscopic constants and to calculate the transport coefficients for O(-) moving i...
متن کاملDetermination of the Potential Energy Surfaces of Refrigerant Mixtures and Their Gas Transport Coefficients
In this work, the inversion scheme was used to determine the potential energy surfaces of five polar refrigerant mixtures. The systems studied here are R123-R134a, R123-R142b, R123-R152a, R142b-R134a, and R142b-R152a. The low-density transport coefficients of the refrigerant mixtures were calculated from the new invert potentials by the classical kinetic theory. The viscosity coefficient, binar...
متن کاملMeasuring Transport Protocol Potential for Energy Efficiency
We investigate the energy-saving potential of transport protocols. We focus on the system-related aspect of energy. Do we have to damage or enhance system fairness in order to provide energy efficiency? We depart from defining protocol potential; we compare different transmission strategies and protocol mechanisms; and we report our results on the impact of each mechanism on system energy. We h...
متن کاملEffective Potential Energy Expression for Membrane Transport
All living cells transport molecules and ions across membranes, often against concentration gradients. This active transport requires continual energy expenditure and is clearly a non-equilibrium process for which standard equilibrium thermodynamics is not rigorously applicable. Here we derive a nonequilibrium effective potential that evaluates the per-particle transport energy invested by the ...
متن کاملPotential-energy Surfaces, Unimolecular Processes and Spectroscopy
The present symposium brings together research in a number of fields: the quantum-chemical calculation of molecular potential-energy surfaces, rotational-vibrational spectroscopy, methods of calculating rotational-vibrational energy levels, unimolecular reactions and intramolecular dynamics. Several aspects of the work are discussed, including some recent developments on rates and products' qua...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Molecular Physics
سال: 2006
ISSN: 0026-8976,1362-3028
DOI: 10.1080/00268970601075246