isotopes.txt (591B)
1 sht ::= <comment-line> 2 [<molecule|isotope>...] 3 4 <molecule> ::= <molecule-name> (<id>) 5 <molecule-name> ::= <alpha>[<alnum>...] 6 7 <isotope> ::= <id> <abundance> <Q(296K)> <gj> <molar-mass(g)> 8 <abundance> ::= REAL # in ]0, 1] 9 <Q(296K)> ::= REAL # partition function at Tref = 296K in ]0, inf) 10 <gj> ::= INTEGER # state independant degeneracy factor (no check) 11 <molar-mass> ::= REAL # ]0, inf) 12 13 <alpha> ::= A-Za-z 14 <alnum> ::= A-Za-z0-9 15 16 <isotope> ::= <id> 17 <id> ::= INTEGER