return to home page Computational Chemistry Comparison and Benchmark DataBase Release 18 (October 2016) Standard Reference Database 101 National Institute of Standards and Technology
You are here: FAQ Help > List

List Species

  1. List species with a given constraint. (For example: list species containing phosphorus or all C5H10 molecules)
  2. By numbers
    1. Sorted by number of atoms
    2. Sorted by number of heavy atoms
    3. Grid of diatomics
  3. By symmetry
    1. Sorted by point group
    2. Number of species in each point group
  4. By atoms, bonds, etc.
    1. Number of species with a given atom
    2. List bond types
    3. List species similar to a given molecule.
    4. List of cis/trans isomers
    5. List of tautomers
    6. List of species with data for multiple conformations
  5. By whatever
    1. List of species and INChI
    2. List of ions
    3. List of deuterated species
How many species with a given element
H
914
D
20
He
3
Li
24
Be
18
B
45
C
865
N
292
O
444
F
182
Ne
3
Na
19
Mg
17
Al
23
Si
35
P
42
S
136
Cl
193
Ar
4
K
10
Ca
11
Sc
6
Ti
8
V
2
Cr
1
Mn
1
Fe
3
Co
1
Ni
1
Cu
9
Zn
13
Ga
15
Ge
18
As
18
Se
20
Br
55
Kr
2
Rb Sr Y Zr Nb Mb Tc Ru Rh Pd Ag Cd In Sn Sb Te I
8
Xe