Module MolStdValue

Standard values for different molecular and atomic properties

Variables

[hide private]

EPSILON_0 = 8.854e-12

E_CHARGE = 1.60217653e-19

EV_PER_ATOM_VS_KJ_PER_MOL = 0.010364

KJ_PER_KCAL = 4.1868

BOLTZMANN_CONST_KJ = 1.3806505e-26

BOLTZMANN_CONST_KCAL = 3.29762706602e-27

BOLTZMANN_CONST = 3.29762706602e-27

ATOM_PER_MOL = 6.0221415e+23

ROOM_TEMPERATURE = 298

BODY_TEMPERATURE = 310

STD_TEMPERATURE = 273

STD_VALENCE = {1: 1, 2: 2, 3: 1, 4: 2, 5: 3, 6: 4, 7: 5, 8: 6,...

STD_ELECTRONEGATIVITY = {1: 2.2, 3: 0.98, 4: 1.57, 5: 2.04, 6:...

IONIC_EN_DIFF = 1.7

POLAR_EN_DIFF = 0.4

STD_IONIZATION_ENERGY_KJ = {1: 1192.0, 2: 2372.3, 3: 520.26, 4...

STD_IONIZATION_ENERGY_KCAL = {1: 284.70430878, 2: 566.61412056...

STD_IONIZATION_ENERGY = {1: 284.70430878, 2: 566.614120569, 3:...

STD_ELECTRON_AFFINITY_KJ = {1: -73, 2: 21, 3: -60, 4: 19, 5: -...

STD_ELECTRON_AFFINITY_KCAL = {1: -17.4357504538, 2: 5.01576382...

STD_ELECTRON_AFFINITY = {1: -17.4357504538, 2: 5.01576382918, ...

METAL_ATOMIC_NUMS = {3: True, 11: True, 12: True, 19: True, 20...

key = 86

value = 41

Variables Details

[hide private]

STD_VALENCE

Value:

{1: 1,
 2: 2,
 3: 1,
 4: 2,
 5: 3,
 6: 4,
 7: 5,
 8: 6,
...

STD_ELECTRONEGATIVITY

Value:

{1: 2.2,
 3: 0.98,
 4: 1.57,
 5: 2.04,
 6: 2.55,
 7: 3.04,
 8: 3.44,
 9: 3.98,
...

STD_IONIZATION_ENERGY_KJ

Value:

{1: 1192.0,
 2: 2372.3,
 3: 520.26,
 4: 899.46,
 5: 800.66,
 6: 1166.5,
 7: 1402.4,
 8: 1314.0,
...

STD_IONIZATION_ENERGY_KCAL

Value:

{1: 284.70430878,
 2: 566.614120569,
 3: 124.261966179,
 4: 214.832330181,
 5: 191.234355594,
 6: 278.613738416,
 7: 334.95748543,
 8: 313.843508169,
...

STD_IONIZATION_ENERGY

Value:

{1: 284.70430878,
 2: 566.614120569,
 3: 124.261966179,
 4: 214.832330181,
 5: 191.234355594,
 6: 278.613738416,
 7: 334.95748543,
 8: 313.843508169,
...

STD_ELECTRON_AFFINITY_KJ

Value:

{1: -73,
 2: 21,
 3: -60,
 4: 19,
 5: -27,
 6: -122,
 7: 7,
 8: -141,
...

STD_ELECTRON_AFFINITY_KCAL

Value:

{1: -17.4357504538,
 2: 5.01576382918,
 3: -14.3307537976,
 4: 4.53807203592,
 5: -6.44883920894,
 6: -29.1391993886,
 7: 1.67192127639,
 8: -33.6772714245,
...

STD_ELECTRON_AFFINITY

Value:

{1: -17.4357504538,
 2: 5.01576382918,
 3: -14.3307537976,
 4: 4.53807203592,
 5: -6.44883920894,
 6: -29.1391993886,
 7: 1.67192127639,
 8: -33.6772714245,
...

METAL_ATOMIC_NUMS

Value:

{3: True, 11: True, 12: True, 19: True, 20: True, 29: True}