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QuantumChemistry

  

AtomicData

  

returns properties of an element or isotope

  

 

Calling Sequence

Parameters

Description

Examples

Calling Sequence

AtomicData(atom)

Parameters

atom

-

name or string; name or symbol of the element or isotope

Description

• 

AtomicData returns the properties of an element or isotope such as its name, electronegativity, symbol, electronaffinity, density, atomic weight, atomic number, meting point, ionization energy and/or boiling point.

• 

The output is a Maple table of atomic properties of the element.

Outputs

The table of following contents:

names

-

set of names -- chemical name of element

electronegativity  

-

float -- electronegativity of atom

symbol

-

name -- symbol of atom

electronaffinity

-

float -- zero point energy in [J/mol]

density

-

float -- electronic energy in [J/mol]

atomicweight

-

float -- atomic weight in [amu]

atomicnumber

-

integer -- atomic number

meltingpoint

-

float -- melting point of atom in [K]

ionizationenergy

-

float -- ionization energy [K]

name

-

name -- name of atom

boilingpoint

-

float -- boiling point of atom in [K]

Examples

withQuantumChemistry:

Query the atomic properties of Na and its isotope Na[18]:

AtomicDataNa;

tableionizationenergy=5.13910000eV,symbol=Na,electronaffinity=0.54792600eV,names=sodium,meltingpoint=370.87000000K,electronegativity=0.93000000,atomicweight=22.98977000amu,name=sodium,density=0.97000000gcm3,boilingpoint=1156.00000000K,atomicnumber=11

(1)

AtomicDataNa;

tableionizationenergy=5.13910000eV,symbol=Na,electronaffinity=0.54792600eV,names=sodium,meltingpoint=370.87000000K,electronegativity=0.93000000,atomicweight=22.98977000amu,name=sodium,density=0.97000000gcm3,boilingpoint=1156.00000000K,atomicnumber=11

(2)

AtomicDatasodium; 

tableionizationenergy=5.13910000eV,symbol=Na,electronaffinity=0.54792600eV,names=sodium,meltingpoint=370.87000000K,electronegativity=0.93000000,atomicweight=22.98977000amu,name=sodium,density=0.97000000gcm3,boilingpoint=1156.00000000K,atomicnumber=11

(3)

AtomicDataNa22;

tablemassexcess=5182.10400000keV,halflife=950.97000000d,bindingenergy=174145.31800000keV,isotope=Na22

(4)

See Also

QuantumChemistry