Pure Appl. Chem., 2001, Vol. 73, No. 9, pp. 1521-1553
http://dx.doi.org/10.1351/pac200173091521
PHYSICAL AND BIOPHYSICAL CHEMISTRY DIVISION
COMMISSION ON MOLECULAR STRUCTURE AND SPECTROSCOPY
Quantum chemical B3LYP/cc-pvqz computation of ground-state structures and properties of small molecules with atoms of Z ≤ 18 (hydrogen to argon)(IUPAC Technical Report)
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