Atom type | Description | V j (Ã…3) | O i max (Ã…3) | S i (kcal/molÃ…3) |
---|---|---|---|---|
C.3 | sp3 carbon | 8.276 | 322.8 | 1.619 |
C.2 | sp2 carbon | 8.571 | 328.9 | −0.730 |
C.1 | sp carbon | 10.952 | 335.5 | −1.958 |
C.ar | aromatic carbon | 8.968 | 352.4 | −0.036 |
N.3 | sp3 nitrogen | 6.984 | 326.4 | −0.938 |
N.2 | sp2 nitrogen | 8.344 | 328.7 | −3.952 |
N.1 | sp nitrogen | 8.622 | 364.3 | −4.857 |
N.am | amidic nitrogen | 8.462 | 357.8 | −8.439 |
N.ar | aromatic nitrogen | 8.133 | 338.3 | −2.707 |
N.pl3 | trigonal planar nitrogen | 8.175 | 331.8 | −6.063 |
O.3 | sp3 oxygen | 6.851 | 368.5 | −5.429 |
O.2 | sp2 oxygen | 7.381 | 344.3 | −4.968 |
S.3 | sp3 sulfur | 16.856 | 340.6 | −0.905 |
S.2 | sp2 sulfur | 17.619 | 348.3 | 2.254 |
S.O | sulfoxide sulfur | 13.547 | 345.2 | −2.159 |
S.O2 | sulfone sulfur | 13.563 | 338.2 | −0.952 |
P | phosphorine | 12.381 | 330.3 | −1.841 |
F | Fluorine | 6.190 | 327.0 | −2.143 |
Cl | Chlorine | 16.325 | 327.3 | −0.397 |
Br | Bromine | 22.064 | 330.4 | 0.714 |
H.C | hydrogen bonded to carbon | 3.143 | 367.3 | 0.905 |
H.N | hydrogen bonded to nitrogen | 2.571 | 364.8 | −4.381 |
H.O | hydrogen bonded to oxygen | 2.763 | 362.1 | −7.429 |