Energy Conversion Table

2018-02-23

Constants and Conversion Units


constantvalue
h (Planck's constant)6.6260755*10-34 J s
kB (Boltzman's constant)1.380658*10-23 J K-1  
NA (Avogadro's number)6.0221367*1023 mol-1  
c (speed of light)2.99792458*1010 cm s-1  
ao (Bohr radius)5.29177249*10-11 m
e (charge of electron)1.60217733*10-19 Coul

 

unitconversion factor
1 Debye3.336*10-30 Coul m
1 eV1.60217733*10-19 J
1 Hartree4.3597482*10-18 J
1 Hartree627.509 kcal mol-1  
1 Hartree27.2116 eV
1 kcal mol-1    4.184 J mol-1  
1 Electron volt23.06035 kcal mol-1  
1 Bohr0.529177249 Angstroms
ZPVE (Hartree)2.27817*10-6 * vib. wavenumber (cm-1)
vibrational temperatur Tv (K)1.43877 * vib. wavenumber (cm-1)

 

1 unit =
hartree
kJ mol-1
kcal mol-1
eV
cm-1
hartree
1
2625.50
627.51
27.212
2.1947x105
kJ mol-1
3.8088x10-4 
1
0.23901
1.0364x10-2
83.593
kcal mol-1
1.5936x10-3
4.1840
1
4.3363x10-2 
349.75
eV
3.6749x10-2
96.485
23.061
1
8065.5
cm-1
4.5563x10-6
1.1963x10-2
2.8591x10-3
1.2398x10-4
1


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From http://web.utk.edu/~rcompton/constants


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