29 results on '"Klopper, Wim"'
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2. A universal explicit electron correlation correction applied to Mukherjee’s multi-reference perturbation theory
3. Spin flipping in ring-coupled-cluster-doubles theory
4. Interference-corrected explicitly-correlated second-order perturbation theory
5. The phenyl + phenyl reaction as pathway to benzynes: An experimental and theoretical study
6. Interaction of the alcohol molecules methanol and ethanol with single-walled carbon nanotubes – A computational study
7. Thermochemistry of the [formula omitted] association reaction and enthalpy of formation of [formula omitted]: A quantum chemical study
8. Theoretical investigation of equilibrium and transition state structures, binding energies and barrier heights of water-encapsulated open-cage [59]fullerenone complexes
9. A diagonal orbital-invariant explicitly-correlated coupled-cluster method
10. The barrier to linearity of hydrogen sulphide
11. Basis-set convergence of the two-electron Darwin term
12. Basis-set convergence of the energy in molecular Hartree–Fock calculations
13. UV fragmentation and ultrafast dynamics of trinuclear silver/1-methylthymine and silver/1-methyluracil metal-base pairs in an ion trap
14. The phenyl+phenyl reaction as pathway to benzynes: An experimental and theoretical study
15. Thermochemistry of the HOSO2+O2 association reaction and enthalpy of formation of HOSO4: A quantum chemical study
16. Parity-violating interaction in H2O2 calculated from density-functional theory
17. Basis-set convergence in correlated calculations on Ne, N2, and H2O
18. Basis set limit value for the static dipole polarizability of beryllium
19. Towards the accurate computation of properties of transition metal compounds: the binding energy of ferrocene
20. A new ab initio based six-dimensional semi-empirical pair interaction potential for HF
21. Two-dimensional model treatment of torsional motions in the water trimer
22. CC-R12, a correlation cusp corrected coupled-cluster method with a pilot application to the Be2 potential curve
23. Orbital-invariant formulation of the MP2-R12 method
24. CID and CEPA calculations with linear r12 terms
25. Parity-violating interaction in H 2O 2 calculated from density-functional theory
26. Møller-plesset calculations taking care of the correlation CUSP
27. CC-R12, a correlation cusp corrected coupled-cluster method with a pilot application to the Be 2 potential curve
28. Basis-set convergence in correlated calculations on Ne, N 2, and H 2O
29. Parity-violating interaction in <f>H2O2</f> calculated from density-functional theory
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