68 results on '"Partridge, Harry"'
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2. Experimental and theoretical infrared spectra of Co2CO
3. Potential energy curves and transport properties for the interaction of He with other ground-state atoms
4. Convergence testing of the analytic representation of an ab initio dipole moment function for water: Improved fitting yields improved intensities
5. A comparison of ZnO and ZnO−
6. Do bond functions help for the calculation of accurate bond energies?
7. The determination of an accurate isotope dependent potential energy surface for water from extensive ab initio calculations and experimental data
8. Erratum: A modification of the Gaussian‐2 approach using density functional theory [J. Chem. Phys. 103, 1788 (1995)]
9. The dissociation energies of CH4and C2H2revisited
10. A modification of the Gaussian‐2 approach using density functional theory
11. The dissociation energy of CN and C2
12. A redetermination of the dissociation energy of MgO+
13. How large is the effect of 1s correlation on the De, ωe, and re of N2?
14. The low‐lying states of AlCu and AlAg
15. Theoretical study of the ground states of the rare-gas hydrides, HeH, NeH, and ArH
16. Ab initio potential energy surface for H–H2
17. Franck–Condon factors for photodetachment from LiO−, NaO−, and KO−
18. Theoretical study of the lowest 5Π and 5Σ+ states of CO
19. Tungsten hexahydride (WH6). An equilibrium geometry far from octahedral
20. A comparison of the coupled cluster and internally‐contracted averaged coupled‐pair‐functional levels of theory for the calculation of the MCH2+ binding energies for M=Sc to Cu
21. Theoretical study of hydrogen and nitrogen interactions: N–H transport cross sections and collision integrals
22. H–N2 interaction energies, transport cross sections, and collision integrals
23. Comment on: An ab initio study of the ionization of sodium superoxide
24. A theoretical study of the positive and dipositive ions of M(NH3)n and M(H2O)n for M=Mg, Ca, or Sr
25. Theoretical study of the BeLi, BeNa, MgLi, MgNa, and AlBe molecules and their negative ions
26. The metal-ligand binding energies for Sr(H2O)+n
27. Theoretical study of the low‐lying bound states of O2
28. Resonance charge transfer, transport cross sections, and collision integrals for N+(3P )–N(4S0) and O+(4S0)–O(3P ) interactions
29. A theoretical study of Na(H2O)+n (n=1–4)
30. All‐electron molecular Dirac–Hartree–Fock calculations: The group IV tetrahydrides CH4, SiH4, GeH4, SnH4, and PbH4
31. A theoretical study of the low‐lying states of Ti2and Zr2
32. Theoretical study of the NO β system
33. The binding energies of Cu+–(H2O)n and Cu+–(NH3)n (n=1–4)
34. Theoretical study of the homonuclear tetramers and pentamers of the group IB metals (Cu, Ag, and Au)
35. Theoretical study of the spectroscopy of NO+
36. On the dissociation energy of Mg2
37. Theoretical study of the nitrogen atom hyperfine coupling constant
38. Chemisorption of O and H on an Al13 cluster
39. Theoretical study of the alkali and alkaline–earth monosulfides
40. Theoretical study of metal noble‐gas positive ions
41. Abinitiostudy of the alkali and alkaline‐earth monohydroxides
42. Theoretical spectroscopic parameters for the low‐lying states of the second‐row transition metal hydrides
43. On correlation in the first row transition metal atoms
44. Near Hartree–Fock quality GTO basis sets for the first‐ and third‐row atoms
45. Theoretical study of the diatomic alkali and alkaline‐earth oxides
46. Theoretical dissociation energies for the alkali and alkaline-earth monofluorides and monochlorides
47. An ab initio study of core–valence correlation
48. Electron affinities of the alkali dimers: Na2, K2, and Rb2
49. Positive ions of the first‐ and second‐row transition metal hydrides
50. Theoretical study of the scandium and yttrium halides
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