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Your search keyword '"Bettens, Ryan P.A."' showing total 22 results

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22 results on '"Bettens, Ryan P.A."'

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5. A new algorithm for molecular fragmentation in quantum chemical calculations

6. Approximating coupled cluster level vibrational frequencies with composite methods

7. Bound state potential energy surface construction: Ab initio zero-point energies and vibrationally averaged rotational constants

8. The microwave spectrum, structure, and ring-puckering of the cyclic dipeptide diketopiperazine

11. FASSST: a new gas-phase analytical tool

13. First principles NMR calculations by fragmentation

14. The conformers of hydroxyacetaldehyde

15. Comparison of fundamental and harmonic frequencies of first-row closed-shell diatomics calculated using full ab initio methods and composite methods

16. Learning to interpolate molecular potential energy surfaces with confidence: A Bayesian approach.

17. Interpolated potential energy surface and dynamics for the reactions between N([sup 4]S) and....

18. Potential energy surfaces and dynamics for the reactions between C([sup 3]P) and....

19. Theoretical investigation of impact sensitivity of nitrogen rich energetic salts.

20. A fast scan submillimeter spectroscopic technique.

21. Ab initio potential energy surface for the reactions between H[sub 2]O and H.

22. Rate coefficient for the important interstellar radiative association between and H2 from classical reaction dynamics

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