Electrochemical Study on Energy Potential Levels with Pyrene Molecule
نویسندگان
چکیده
منابع مشابه
Calculation of rotation-vibration energy levels of the water molecule with near-experimental accuracy based on an ab initio potential energy surface.
A recently computed, high-accuracy ab initio Born-Oppenheimer (BO) potential energy surface (PES) for the water molecule is combined with relativistic, adiabatic, quantum electrodynamics, and, crucially, nonadiabatic corrections. Calculations of ro-vibrational levels are presented for several water isotopologues and shown to have unprecedented accuracy. A purely ab initio calculation reproduces...
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ژورنال
عنوان ژورنال: Textile Coloration and Finishing
سال: 2013
ISSN: 1229-0033
DOI: 10.5764/tcf.2013.25.3.159