19 results on '"Hättig, Christof"'
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2. Interactions of water and short-chain alcohols with CoFe2O4(001) surfaces at low coverages
3. Tracing absorption and emission characteristics of halogen-bonded ion pairs involving halogenated imidazolium species
4. Anchoring of palladium nanoparticles on N-doped mesoporous carbon
5. Correction: A quantum chemical study of hydrogen adsorption on carbon-supported palladium clusters
6. A quantum chemical study of hydrogen adsorption on carbon-supported palladium clusters
7. Anharmonic excited state frequencies of para-difluorobenzene, toluene and catechol using analytic RI-CC2 second derivatives
8. How a linear triazene photoisomerizes in a volume-conserving fashion
9. COSMO-RI-ADC(2) excitation energies and excited state gradients
10. Circularly polarised fluorescence and phosphorescence calculations on organic molecules using the approximate coupled-cluster model CC2
11. Origin-independent two-photon circular dichroism calculations in coupled cluster theory
12. Optical rotation calculations on large molecules using the approximate coupled cluster model CC2 and the resolution-of-the-identity approximation
13. Computational screening of one- and two-photon spectrally tuned channelrhodopsin mutants
14. Auxiliary basis sets for density-fitted correlated wavefunction calculations: weighted core-valence and ECP basis sets for post-d elements
15. Investigation of interstitial hydrogen and related defects in ZnO
16. Comment on Quintuple-ζ quality coupled-cluster correlation energies with triple-ζ basis sets by D. P. Tew, W. Klopper, C. Neiss and C. Hättig, Phys. Chem. Chem. Phys., 2007, 9, 1921 [erratum]
17. Benchmarking the performance of spin-component scaled CC2 in ground and electronically excited states
18. Distributed memory parallel implementation of energies and gradients for second-order Møller–Plesset perturbation theory with the resolution-of-the-identity approximation
19. Implementation of RI-CC2 triplet excitation energies with an application to trans-azobenzene
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