An alternative to the Gaussian-n (G1, G2, and G3) composite methods of computing
molecular energies is proposed and is named the “correlation consistent composite …

High-accuracy ab initio thermochemistry is presented for 219 small molecules relevant in
combustion chemistry, including many radical, biradical, and triplet species. These values …

Three exciting new methods that address the accurate prediction of processes and
properties of large molecular systems are discussed. The systematic fragmentation method …

Sason: To get back to my story—in that first paper, as VB aficionados we joined forces with
Wei Wu to test whether VB calculations retrieves those levitating π bonds. And also …

The correlation consistent Composite Approach (ccCA), which has been shown to achieve
chemical accuracy (±1 kcal mol-1) for a large benchmark set of main group and s-block …

The family of correlation consistent polarized valence basis sets has been extended in order
to account for core− core and core− valence correlation effects within the third-row, main …

The correlation-consistent composite approach (ccCA), an ab initio composite technique for
computing atomic and molecular energies, recently has been shown to successfully …

Impressive growth of computer facilities and effective implementation of very accurate
quantum mechanical methods allow, nowadays, the determination of structures and …

Does, or doesn't C2 break the glass ceiling of triple bonding? This work provides an
overview on the bonding conundrum in C2 and on the recent discussions regarding our …

The correlation consistent Composite Approach (ccCA) has been made more robust by (a)
modifying the basis set used in computing B3LYP equilibrium geometries and harmonic …