55 results on '"Partridge, Harry"'
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2. Vibrational energy levels for CH4 from an ab initio potential
3. Unusual distributed charge models of water's electric potential
4. The atomization energy of Mg4
5. Erratum to “The sensitivity of B3LYP atomization energies to the basis set and a comparison of basis set requirements for CCSD(T) and B3LYP”
6. A study of the low-lying states of CaAr+ and CaKr+
7. The Sc+–OH and Sc+–OCH3 bond energies in ScOH+, ScOCH3+, Sc(OH)2+, ScOHOCH3+, and Sc(OCH3)2+
8. The N2–N2 potential energy surface
9. The heats of formation of SiCln+, for n = 1–4
10. The successive OH binding energies of Sc(OH)n+ for n = 1−3
11. The electronic excited states of BN
12. HH2 collision integrals and transport coefficients
13. The theoretical transition probabilities between the B 3Πg and the A 3Σu+, W 3Δu, B′ 3Σu− states of N2
14. The dissociation energies of AlH2 and AlAr
15. A comparison of correlation-consistent and Pople-type basis sets
16. The sensitivity of B3LYP atomization energies to the basis set and a comparison of basis set requirements for CCSD(T) and B3LYP
17. The CH dissociation energy of C2H6
18. A study of the X 2Σ+ and A 2Π states of MgAr+ and MgKr+
19. Accurate energetics for the unimolecular decomposition of HN2
20. Cr2 revisited
21. Comparison of semi-classical and quantum-mechanical methods for the determination of transport cross sections
22. Theoretical dipole moment for the X 2Π state of NO
23. Theoretical study of the nitric oxide ϵ and 11000 Å bands
24. Ab initio electronic structure studies in molecular spectroscopy and chemical thermodynamics
25. Theoretical study of the electronic states of MgC
26. The vibrational frequencies of CH2OH
27. Theoretical study of the NO b 4Σ− and O+2 b 4Σ−g radiative lifetimes
28. An accurate determination of the HO2 heat of formation
29. Relativistic corrections to the properties of the alkali fluorides
30. Comment on “A MRCI PS and CASSCF study of the ground state MgO dissociation energy”
31. The 2Σ+−2Π separation in KO
32. Theoretical study of the 2A22B2 separation of the alkali superoxides
33. Comparative study of the dissociation energies of Ni2 and Ni+2
34. Theoretical determination of the alkali-metal superoxide bond energies
35. A theoretical study of Mg(CO2)+n and Sr(CO2)+n for n = 1 and 2 and Mg2CO+2
36. Transport cross sections and collision integrals for N(4So)-O+ (4So) and N+ (3P)-O(3P) interactions
37. Mg+ligand binding energies
38. Theoretical study of the positive ions of the dimers and trimers of the group IB metals (Cu, Ag, and Au)
39. An ab initio study of the low-lying doublet states of AgO and AgS
40. A reevaluation of the H3 potential
41. Radiative lifetimes for the X 1Σ+ state of NO+
42. Comparison of the bonding between ML+ and ML2+ (M=metal, L=noble gas)
43. Theoretical study of the dipole moment of oxygen monofluoride (OF)
44. Theoretical study of the Λ-doubling parameters for X2Π OH
45. On the dissociation energy of CaOH and LiOH
46. The dissociation energy of ionic molecules; Selected oxides and fluorides: LiO, LiF, BeO, BeF, MgF, CaF and SrF
47. Theoretical study of the litium dimer and its anion
48. AB initio study of BeCN, MgCN, CaCN and BaCN
49. Theoretical study of the Ogawa band system of NO
50. On the electron affinity of Cu atom
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