most citedW4 theory for computational thermochemistry: in pursuit of confident sub-kJ/mol predictions

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physics.chem-ph2006★ 773 cited

W4 theory for computational thermochemistry: in pursuit of confident sub-kJ/mol predictions

Amir Karton, Elena Rabinovich, Jan M. L. Martin +1

In an attempt to improve on our earlier W3 theory [J. Chem. Phys. {\bf 120}, 4129 (2004)] we consider such refinements as more accurate estimates for the contribution of connected…