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1. Accurate ab initio potential energy computations for the H4 system: Tests of some analytic potential energy surfaces.

2. Classical and quantum studies of the photodissociation of a HX (X=Cl,F) molecule adsorbed on ice.

3. The lowest triplet state [sup 3]A[sup ′] of H[sub 3][sup +]: Global potential energy surface and vibrational calculations.

4. Analysis of the nuclear-electronic orbital method for model hydrogen transfer systems.

5. Resonances in three-dimensional H+HLi scattering: A time-dependent wave packet dynamical study.

6. Quantum dynamics of the D[sub 2]+OH reaction.

7. Theoretical characterization of the potential energy surface for H+N2→HN2. II. Computed points to define a global potential.

8. Six dimensional quantum dynamics study for dissociative adsorption of H2 on Cu(111) surface.

9. Theoretical study of the intramolecular isotope effect in the reaction of F+HD.

10. Theoretical study of the unimolecular dissociation HO2→H+O2. I. Calculation of the bound states of HO2 up to the dissociation threshold and their statistical analysis.

11. Quantum functional sensitivity analysis within the log-derivative Kohn variational method for reactive scattering.

12. Parametrized direct dynamics study of rate constants of H with CH[sub 4] from 250 to 2400 K.

13. Probing the He–H2 potential surface with dynamical and kinetic observables.

14. Theoretical vibrational study of the FX···O(CH3)2 hydrogen-bonded complex.

15. Vibrational energy levels of hydrogen cyanide.

16. A comparison of force fields and calculation methods for vibration intervals of isotopic H+3 molecules.

17. Accurate global fit of the H4 potential energy surface.

18. Predicting observables on different potential energy surfaces using feature sensitivity analysis: Application to the collinear H+H2 exchange reaction.

19. In search of phosphorus in astronomical environments: The reaction between the CP radical (X2Σ+) and methanimine.

20. Multireference coupled cluster calculations on CH2+.

21. Magic numbers, quantum delocalization, and orientational disordering in anionic hydrogen and deuterium clusters.

22. Interaction of the SH+ ion with molecular hydrogen: Ab initio potential energy surface and scattering calculations.

23. State-to-state quasi-classical trajectory study of the D + H2 collision for high temperature astrophysical applications.

24. A quantum dynamical study of the rotation of the dihydrogen ligand in the Fe(H)2(H2)(PEtPh2)3 coordination complex.

25. Explicit correlation treatment of the six-dimensional potential energy surface and predicted infrared spectra for OCS-H2.

26. Dynamics of H2 dissociation on the close-packed (111) surface of the noblest metal: H2 + Au(111).

27. Ab initio potential energy surfaces describing the interaction of CH(X²Π) with H2.

28. An accurate full-dimensional potential energy surface for H-Au(111): Importance of nonadiabatic electronic excitation in energy transfer and adsorption.

29. Full-dimensional, high-level ab initio potential energy surfaces for H2(H2O) and H2(H2O)2 with application to hydrogen clathrate hydrates.

30. A new ab initio potential energy surface for the collisional excitation of N2H+ by H2.

31. Rotationally inelastic scattering of OH by molecular hydrogen: Theory and experiment.

32. A comparative study of the Au + H2, Au+ + H2, and Au- + H2 systems: Potential energy surfaces and dynamics of reactive collisions.

33. Eight-dimensional quantum reaction rate calculations for the H+CH4 and H2+CH3 reactions on recent potential energy surfaces.

34. The interaction of OH(X²Π) with H2: Ab initio potential energy surfaces and bound states.

35. Rotational relaxation in molecular hydrogen and deuterium: Theory versus acoustic experiments.

36. A comparative account of quantum dynamics of the H+ + H2 reaction at low temperature on two different potential energy surfaces.

37. On the use of explicitly correlated treatment methods for the generation of accurate polyatomic -He/H2 interaction potential energy surfaces: The case of C3-He complex and generalization.

38. Multiple ionization and hydrogen loss from neutral and positively-charged coronene.

39. Quantum effects and anharmonicity in the H2-Li+-benzene complex: A model for hydrogen storage materials.

40. A new ab initio potential energy surface for the collisional excitation of HCN by para- and ortho-H2.

41. Highly accurate potential energy surface for the He-H2 dimer.

42. Dynamics of the D+ + H2 → HD + H+ reaction at the low energy regime by means of a statistical quantum method.

43. H2 in solid C60: Coupled translation-rotation eigenstates in the octahedral interstitial site from quantum five-dimensional calculations.

44. Vibration-vibration and vibration-translation energy transfer in H2-H2 collisions: A critical test of experiment with full-dimensional quantum dynamics.

45. Combined-hyperbolic-inverse-power-representation of potential energy surfaces: A preliminary assessment for H3 and HO2.

46. Ortho-para-H2 conversion by hydrogen exchange: Comparison of theory and experiment.

47. Static surface temperature effects on the dissociation of H2 and D2 on Cu(111).

48. Quasiclassical trajectory study of fast H-atom collisions with acetylene.

49. Low-energy rotational inelastic collisions of H+ + CO system.

50. Assessing weak hydrogen binding on Ca+ centers: An accurate many-body study with large basis sets.