Constants and Conversion Units| Constants and Conversion Units |
| constant | value | unit | conversion factor | |
|---|---|---|---|---|
| amu (Atomic Mass Unit) | 1.66054*10-27kg | 1 Debye | 3.336*10-30 Coul m | |
| NA (Avogadro's Number) | 6.0221367*1023 mol-1 | 1 eV | 1.60217733*10-19 J | |
| mB (Bohr magneton) | 9.274015*10-24 J T-1 | 1 Hartree | 4.3597482*10-18 J | |
| ao (Bohr radius) | 5.29177249*10-11 m | 1 Hartree | 627.509 kcal mol-1 | |
| kB (Boltzmann's constant) | 1.380658*10-23 J K-1 | 1 Hartree | 27.2116 eV | |
| D (Debye) | 3.33564*10-30 C m | 1 kcal mol-1 | 4.184 J mol-1 | |
| e (Electron Charge) | 1.60217733*10-19 Coul | 1 Electron volt | 23.06035 kcal mol-1 | |
| me (Electron Mass) | 9.1093897*10-31 kg | 1 Bohr | 0.529177249 Angstroms | |
| F (Faraday Constant) | 96485 C mol-1 | ZPVE (Hartree) | 2.27817*10-6 * vib. cm-1 | |
| R (Gas Constant) | 8.31451 J K-1 mol-1 | vibrational temp. Tv (K) | 1.43877 * vib. cm-1 | |
| e (Electron Charge) | 1.60217733*10-19 Coul | N | kg m s-2 | |
| g (Gravity Acceleration) | 9.80665 m s-2 | Pa | N m-2 | |
| Eh (Hartree Energy) | 4.3597482*10-18 J | J | N m = kg m2 s-2 | |
| c (Light Speed) | 2.99792458*1010 cm s-1 | W | J/s = kg m s-3 | |
| mn (Neutron Mass) | 1.67493*10-27kg | V | W/A = kg m s-3 A-1 | |
| h (Planck's constant) | 6.6260755*10-34 J s | A | C s-1 | |
| mp (Proton Mass) | 1.672623*10-27kg | F | C V-1 | |
| e0 (Vacuum Permittivity) | 8.8541878*10-12 C2 J-1m-1 | W | V A-1 = kg m s-3 A-2 | |
| T | Wb m-2 = kg s-2 A-1 |
|
|
erg | J | cal |
|
hartrees |
|
Hz | K | kJ mol-1 | kcal mol-1 |
| erg |
|
1x10-7 | 2.398x10-8 | 6.241x10+11 | 2.294x10+10 | 5.034x10+15 | 1.5092x10+26 | 7.243x10+15 | 6.022x10+13 | 1.4393x10+13 |
| J | 1x10+7 |
|
2.390x10-1 | 6.241x10+18 | 2.294x10+17 | 5.034x10+22 | 1.5092x10+33 | 7.243x10+22 | 6.022x10+20 | 1.4393x10+20 |
| cal | 4.1840x10+7 |
|
|
2.611x10+19 | 9.597x10+17 | 2.106x10+23 | 6.315x10+33 | 3.031x10+23 | 2.520x10+21 | 6.022x10+20 |
|
|
1.6022x10-12 | 1.6022x10-19 | 3.829x10-20 |
|
3.675x10-2 | 8.065x10+3 | 2.418x10+14 | 1.1605x10+4 | 9.648x10+1 | 2.306x10+1 |
| hartrees | 4.360x10-11 | 4.360x10-18 | 1.0420x10-18 | 2.721x10+1 |
|
2.195x10+5 | 6.580x10+15 | 3.158x10+5 | 2.626x10+3 | 6.275x10+2 |
|
|
1.9865x10-16 | 1.9865x10-23 | 4.748x10-24 | 1.2399x10-4 | 4.556x10-6 | 1 | 2.998x10+10 | 1.4388 | 1.1963x10-2 | 2.859x10-3 |
| Hz | 6.626x10-27 | 6.626x10-34 | 1.5837x10-34 | 4.136x10-15 | 1.5198x10-16 | 3.336x10-11 | 1 | 4.799x10-11 | 3.990x10-13 | 9.537x10-14 |
| K | 1.3807x10-16 | 1.3807x10-23 | 3.300x10-24 | 8.617x10-5 | 3.167x10-6 | 6.950x10-1 | 2.084x10+10 | 1 | 8.314x10-3 | 1.9871x10-3 |
|
|
1.6606x10-14 | 1.6606x10-21 | 3.969x10-22 | 1.0364x10-2 | 3.809x10-4 | 8.359x10+1 | 2.506x10+12 | 1.2027x10+2 | 1 | 2.390x10-1 |
|
|
6.948x10-14 | 6.948x10-21 | 1.6606x10-21 | 4.337x10-2 | 1.5936x10-3 | 3.498x10+2 | 1.0486x10+13 | 5.032x10+2 | 4.184 | 1 |