Physics – Chemical Physics
Scientist
Physics
Chemical Physics
Scientist
Atomization energies of the carbon clusters Cn (n=2--10) revisited by means of W4 theory as well as density functional, Gn, and CBS methods
Basis set convergence of post-CCSD contributions to molecular atomization energies
Benchmark thermochemistry of the C_nH_{2n+2} alkane isomers (n=2--8) and performance of DFT and composite ab initio methods for dispersion-driven isomeric equilibria
Comment on: "Estimating the Hartree-Fock limit from finite basis set calculations" [Jensen F (2005) Theor Chem Acc 113:267]
Performance of ab initio and density functional methods for conformational equilibria of CnH2n+2 alkane isomers (n=2-8)
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