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1. Accurate and highly efficient calculation of the highly excited pure OH stretching resonances of O(1D)HCl, using a combination of methods.

2. New pecS-n (n = 1, 2) basis sets for quantum chemical calculations of the NMR chemical shifts of H, C, N, and O nuclei.

3. Theoretical study of the unimolecular dissociation HO2→H+O2. II. Calculation of resonant states, dissociation rates, and O2 product state distributions.

4. Quantum reactive scattering with a deep well: Time-dependent calculation for H+O2 reaction and bound state characterization for HO2.

5. Accurate quantum calculations for H2+OH→H2O+H: Reaction probabilities, cross sections, and rate constants.

6. Theoretical study of the rovibrational spectrum of H2O-H2.

7. Chemical waves in the O2 + H2 reaction on a Rh(111) surface alloyed with nickel. II. Photoelectron spectroscopy and microscopy.

8. Chemical waves in the O2 + H2 reaction on a Rh(111) surface alloyed with nickel. I. Photoelectron emission microscopy.

9. Photodissociation of HOCl: A model for the prediction of the OH Λ-doublet and Cl spin–orbit product state distributions.

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. Comparison of classical and quantal calculations for the reaction O+H2(υ=0, J)→OH(υ′, J′)+H near threshold.

12. An ab initio study of hydroxylated graphane.

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

14. Simulation of the time dependent infrared ν2 mode absorptions of (oH2)n:H2O clusters in O2 doped solid hydrogen at 4.2 K.

15. Reaction mechanism of the direct gas phase synthesis of H2O2 catalyzed by Au3.

16. Modification of the surface electronic and chemical properties of Pt(111) by subsurface 3d transition metals.

17. Reactions of gas-phase H atoms with atomically and molecularly adsorbed oxygen on Pt(111).

18. Transient absorption of vibrationally excited water.

20. Lateral interactions in coadsorbate layers: Vibrational frequency shifts.

21. Calculation of OH-stretching band intensities of the water dimer and trimer.

22. The electric dipole moment and hyperfine interactions of KOH.

23. State-specific unimolecular dissociation dynamics of HFCO. II. CO rotational distribution and Doppler widths.

24. CaOH has a second linear structure HCaO.

25. Oxidation of H on Rh(111): H2O product velocity and angular distributions.

26. Structural characterization of an electrolytic aqueous solution, LiCl·6H2O, in the glass, supercooled liquid, and liquid states.

27. A lumped model for H2/O2 oxidation in the oscillatory regime.

28. Accurate three-dimensional quantum probabilities and collision lifetimes of the H+O2 combustion reaction.

29. Global potential energy surfaces for the lowest 1A’, 3A‘, and 1A‘ states of HNO.

30. Quasiclassical trajectory studies of N+OH, O+NH, and H+NO collisions using global ab initio potential energy surfaces.

31. Detection of OH+ in its a 1Δ state by far infrared laser magnetic resonance.

32. Effects of rotational, vibrational, and translational energy on the rate constants for the isotope exchange reactions OH-+D2 and OD-+H2.

33. Solvated water molecules and hydrogen-bridged networks in liquid water.

34. Infinite order-sudden cross sections for excitation of overall and internal rotation in CH3OH–He collisions.

35. Rotational transitions in O(3P)+H2(HD,DH,D2) reaction: Roles of coordinate transformation and rotationally inelastic half collisions for product distributions.

36. The effect of low frequency vibrations in CH4 on the rate constant for the reaction of O+2 (X 2Πg, v=0) with CH4.

37. Vibrational state-to-state calculations of H++O2 charge transfer collisions.

38. Rotational, fine, and hyperfine structure in the high-resolution electronic spectrum of ArOH and ArOD.

39. Quantum reactive scattering of four-atom reactions with nonlinear geometry: OH+H2→H2O+H.

40. Rotation–vibration interactions in highly excited states of SO2 and H2CO.

41. Predissociation lifetimes of OH A 2Σ+ (v’=3) obtained from optical–optical double-resonance linewidth measurements.

42. Doppler spectroscopy of the OH fragment ejected by trans HONO (A 1A‘): Characterization of the A state resonances and determination of vibrational energy content of the NO fragment.

43. The OH vibrational spectrum of liquid water from combined ab initio and Monte Carlo calculations.

44. Fine structure branching ratios and Doppler spectra of O(3Pj) produced by the reaction of H+O2→OH+O.

45. A quasiclassical trajectory study of the OH+CO reaction.

46. Mapping of transition-state wave functions: I. Rotational state distributions following the decay of long-lived resonances in the photodissociation of HONO(S1).

47. Ab initio study on the effect of attaching a hydrogen molecule to the (H5O2)+ ion cluster.

48. Ultracold collisions of O(1D) and H2: The effects of H2 vibrational excitation on the production of vibrationally and rotationally excited OH.

49. A quantum time-dependent wave-packet study of intersystem crossing effects in the O(3P0, 1, 2) + D2(v = 0, j = 0) reaction.

50. Reactive quenching of OH A 2Σ+ by O2 and CO: Experimental and nonadiabatic theoretical studies of H- and O-atom product channels.