170 citations · 335 across the 4 of their papers we have counts for
4 papers
Basis set convergence of post-CCSD contributions to molecular atomization energies
Amir Karton, Peter R. Taylor, Jan M. L. Martin
Basis set convergence of correlation effects on molecular atomization energies beyond the CCSD (coupled cluster with singles and doubles) approximation has been studied near the on…
A definitive heat of vaporization of silicon through benchmark ab initio calculations on SiF_4
Jan M. L. Martin, Peter R. Taylor
In order to resolve a significant uncertainty in the heat of vaporization of silicon -- a fundamental parameter in gas-phase thermochemistry -- [Si(g)] has been det…
Benchmark ab initio thermochemistry of the isomers of diimide, N_2H_2, using accurate computed structures and anharmonic force fields
Jan M. L. Martin, Peter R. Taylor
A benchmark ab initio study on the thermochemistry of the trans-HNNH, cis-HNNH, and HNN isomers of diazene has been carried out using the CCSD(T) coupled cluster method, basis…
C20: Fulleren, Bowl or Ring? New Results from Coupled-Cluster Calculations
Peter R. Taylor, Eric Bylaska, John H. Weare +1
Contrary to recent experimental evidence suggesting that the monocyclic ring is the most stable 20-atom carbon species, highly accurate calculations convincingly predict that the s…