37 results on '"Palmer, Michael H."'
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2. Comparison of theoretical and experimental studies of infrared spectral data for the 5-membered ring heterocycles
3. The molecular properties of the halogen pseudohalides studied by both ab initio and DFT methods
4. The molecular and electronic structures of the halogen pseudohalides, a comparison of ab initio and DFT calculated structural and vibrational results with spectroscopic data
5. An ab initio study of the structure, tautomerism and molecular properties of the C- and N-amino-1,2,4-triazoles
6. The structures of the azido-, isocyanato- and isothiocyanato-derivatives of germane, stannane and plumbane and their trimethyl derivatives: a comparison of ab initio results with experiment, and with the methane and silane analogs
7. The structures of the azido-, isocyanato- and isothiocyanato- derivatives of methane and silane and their derivatives. A comparison of ab initio with experimental results
8. The 1,2,4-triazine 14N quadrupole coupling constants, as derived from a joint study by microwave spectroscopy and ab initio calculations at the equilibrium geometry
9. The nuclear quadrupole coupling of the halogen pseudohalides: A comparison of ab initio and DFT studies with spectroscopic data
10. Corrigendum to “The structures of the azido-, isocyanato- and isothiocyanato-derivatives of methane and silane and their derivatives. A comparison of ab initio with experimental results” [J. Molstruc. 660 (2003) 49–65]
11. The structures of the azido-, isocyanato- and isothiocyanato-derivatives of methane and silane and their derivatives. A comparison of ab initio with experimental results
12. The equilibrium molecular structures of cross-conjugated alkenes with particular reference to [3]- and [4]-dendralene from ab initio studies of various conformers
13. Deviations from idealised geometries part 3: approximately tetrahedral molecules of form MX2Y2 studied by SCF and MP2 calculations
14. Deviations from idealised geometries part 4: approximately tetrahedral molecules of form MX2Y2 studied by SCF and MP2 localised orbital calculations
15. Deviations from idealised geometry, a comparison of structural data from experimental and ab initio studies Part II. The pseudohalogen acids HNXY
16. Ab initio calculation of the equilibrium structure, quadrupole coupling and second moments for methyl nitrate and nitric acid
17. The 1,2,4-triazine 14N quadrupole coupling constants, as derived from a joint study by microwave spectroscopy and ab initio calculations at the equilibrium geometry
18. Ab initio molecular orbital studies of flavin radicals and the lowest triplet state of isoalloxazine
19. The electronic structure of substituted benzenes: ab initio calculations and photoelectron spectra for benzonitrile, the tolunitriles, fluorobenzonitriles, dicyanobenzenes and ethynylbenzene
20. The electronic structure of heteroaromatic molecules; ab initio calculations and photoelectron spectra for the isomeric-oxazoles and some -oxadiazoles
21. The electronic structure of 6a-thiothiophthen and related molecules: non-empirical calculations and reassignment of the photoelectron spectra
22. The electronic structure of some heterocycles with bridgehead nitrogen: photoelectron spectra and ab initio molecular orbital calculations
23. The electronic structure of substituted benzenes; ab initio calculations and photoelectron spectra for nitrobenzene, the nitrotoluenes, dinitrobenzenes and fluoronitrobenzenes
24. Assignment of the UV—photoelectron spectra of cyclobutene and its syn- and anti-dimers
25. The molecular and electronic structure of homoaromatic compounds: cis,cis,cis-cyclonona-1,4,7-triene and 1,4,7-trioxonin; a study by photoelectron spectroscopy and ab initio molecular orbital methods
26. The electronic structure of aromatic molecules: ab inito molecular orbital studies and photoelectron spectra for the aza-derivatives of indole, benzofuran and benzothiophen
27. The electronic structure of substituted benzenes; a study of aniline, the toluidines, phenylenediamines and fluoroanilines by photoelectron spectroscopy and ab initio calculations
28. The electronic structure and bonding in polythiazyl, (SN)x
29. A re-interpretation of the UV-photoelectron spectra of dewar benzene, norbornadiene and barrelene by ab initio configuration interaction calculations
30. The electronic structure of substituted benzenes; ab initio calculations and photoelectron spectra for phenol, the methyl- and fluoro-derivatives, and the dihydroxybenzenes
31. Assignment of the UV—photoelectron and low energy electronic spectrum of cycloocta-1,3,5,7-tetraene
32. The electronic structure of flavin derivatives
33. AB initio and semiempirical molecular orbital studies on cytosine and N(4)-hydroxycytosine
34. The electronic structure of substituted benzenes; AB initio calculations and photoelectron spectra for the methyl- and fluoro-benzenes and fluorotoluenes
35. ab initio molecular orbital calculations
36. Deviations from idealised geometries part 4: approximately tetrahedral molecules of form MX 2Y 2 studied by SCF and MP2 localised orbital calculations
37. Deviations from idealised geometries part 3: approximately tetrahedral molecules of form MX 2Y 2 studied by SCF and MP2 calculations
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