Energie

[mohamed khuili]

*** Conversion factors ***

 [u] -> [a.u.]                                              
1.82288848426455E+03
 [Angstrom] -> [Bohr] = [a.u.]                              
1.88972613288564E+00
 [a.u.] = [Bohr] -> [Angstrom]                              
5.29177208590000E-01
 [a.u.] -> [s]                                              
2.41888432650478E-17
 [a.u.] -> [fs]                                             
2.41888432650478E-02
 [a.u.] -> [J]                                              
4.35974393937059E-18
 [a.u.] -> [K]                                              
3.15774647902944E+05
 [a.u.] -> [kJ/mol]                                         
2.62549961709828E+03
 [a.u.] -> [kcal/mol]                                       
6.27509468713739E+02
 [a.u.] -> [Pa]                                             
2.94210107994716E+13
 [a.u.] -> [bar]                                            
2.94210107994716E+08
 [a.u.] -> [atm]                                            
2.90362800883016E+08
 [a.u.] -> [eV]                                             
2.72113838565563E+01
 [a.u.] -> [Hz]                                             
6.57968392072181E+15
 [a.u.] -> [1/cm] (wave numbers)                            
2.19474631370540E+05
 [a.u./Bohr**2] -> [1/cm]                                   
5.14048714338585E+03
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