11 results on '"Martin, Jan M. L."'
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2. Post-CCSD(T) corrections to bond distances and vibrational frequencies: the power of Λ
3. A simple model for scalar relativistic corrections to molecular total atomisation energies
4. Prediction of electronic couplings for molecular charge transfer using optimally tuned range-separated hybrid functionals
5. Probing the basis set limit for thermochemical contributions of inner-shell correlation: balance of core-core and core-valence contributions
6. W4 thermochemistry of P2and P4. Is the CODATA heat of formation of the phosphorus atom correct?
7. Anharmonic force fields and thermodynamic functions using density functional theory
8. Alkali and alkaline earth metal compounds: core—valence basis sets and importance of subvalence correlation
9. The heats of formation of the haloacetylenes XCCY [X, Y = H, F, Cl]: basis set limitab initioresults and thermochemical analysis
10. Accurateab initioanharmonic force field and heat of formation for silane
11. Benchmark ab initio thermochemistry of the isomers of diimide, N2H2, using accurate computed structures and anharmonic force fields
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