1. 1972 Publications.
    Reductive and Oxidative Cleavage of 5-Phenyl-D-2-isoxazoline-3-carboxylic Acid. G. S. King, P.D. Magnus and H. S. Rzepa, J. Chem. Soc., Perkin Trans. 1 , 1972, 437-443.
    [1972|1975|1977|1978|1979|1980|1981|1982|1983|1984|1985|1986|1987|1988|1989|1990|1991|1992]
    1975 Publications.
  2. Heteraromatic Hydrogen Exchange Reactions. The Ionisation of 1,3-Dimethylindolin-2 one. B. C. Challis and H. S. Rzepa, J. Chem. Soc., Perkin Trans 2. , 1975, 1822-1826.
  3. The Mechanism of Diazo-coupling to Indoles and the Effect of Steric Hindrance on the Rate-limiting Step. B. C. Challis and H. S. Rzepa, J. Chem. Soc., Perkin Trans 2. , 1975, 1209-1217.
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    1977 Publications.
  4. Heteroaromatic Hydrogen Exchange Reactions. Acid Catalysed Decarboxylation of Indole-3-Carboxylic Acids. J. Chem. Soc., Perkin Trans 2. , 1977, 281-286.
  5. Ground States of Molecules. MINDO/3 Calculations of Non-classical Ions. M. J. S. Dewar, R. C. Haddon, A. Komornicki and H. S. Rzepa, J. Am. Chem. Soc., 1977, 99 , 377-385.
  6. The Cope Rearrangement. MINDO/3 Studies of the Rearrangements of 1,5-Hexadiene and Bicyclo[2.2.0]hexane. M. J. S. Dewar, G. P. Ford, M. L. McKee, H. S. Rzepa and L. E. Wade, J. Am. Chem. Soc. , 1977, 99 , 5069-5073.
  7. MNDO Study of Ozone and Its Decomposition into O2 and O. M. J. S. Dewar, S. Olivella and H. S. Rzepa, Chem. Phys. Lett. , 1977, 47, 80-84.
  8. Electrocyclic Ring Opening of Bicyclo[2.2.0]hexa-2,5-dienes (cis and trans Dewar Benzenes): MNDO Semiempirical Molecular Orbital Calculations. J. Chem. Soc., Chem. Commun. , 1977, 728-730.
  9. Gaseous Ions. MINDO/3 Calculations for Some Simple Organic Cations and for their Hydrogen Elimination Reactions. M. J. S. Dewar and H. S. Rzepa, J. Am. Chem. Soc. , 1977, 99 , 7432-7439.
  10. Ground States of Molecules. Vibrational Frequencies of Isotopically Substituted Molecules Calculated using MINDO/3 Force Constants. M. J. S. Dewar and H. S. Rzepa, J. Mol. Structure , 1977, 40 , 145-149.
  11. An MNDO Study of the Structures, Vibrational Frequencies and Ionisation Energies of the First Five Poly-ynes. M. J. S. Dewar, G. P. Ford and H. S. Rzepa, Chem. Phys. Lett. , 1977, 50 , 262-265.
  12. Dissociative Pathways and Molecular Vibrations. Compliance Constants and Minimum Energy Coordinates for BF3 and SO3. B. I. Swanson, J. J. Rafalko, H. S. Rzepa and M. J. S. Dewar, J. Am. Chem. Soc. , 1977, 99 , 7829-7834.
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    1978 Publications.
  13. Ground States of Molecules. MNDO Results for Molecules Containing Fluorine. M. J. S. Dewar and H. S. Rzepa, J. Am. Chem. Soc. , 1978, 100 , 58-67.
  14. Ground States of Molecules. MNDO Results for Molecules Containing Beryllium. M. J. S. Dewar and H. S. Rzepa, J. Am. Chem. Soc. , 1978, 100 , 777-784.
  15. Calculations of Electron Affinities Using the MNDO Semiempirical SCF-MO Method. M. J. S. Dewar and H. S. Rzepa, J. Am. Chem. Soc. , 1978, 100 , 784-790.
  16. MNDO Parameters for Third Period elements. M. J. S. Dewar, M. L. McKee and H. S. Rzepa, J. Am. Chem. Soc. , 1978, 100 , 3607.
  17. The Electrocyclic Ring Opening of 1- and 2-Azabicyclo[2.2.0]hexa-2,5-diene: MNDO Molecular Orbital Calculations. M. J. S. Dewar, G. P. Ford, J. P. Ritchie and H. S. Rzepa, J. Chem. Research , 1978, 26-27 (S), 484-491 (M).
  18. Ground States of Molecules. A MNDO SCF-MO Study of the Coordination of Beryllium-Indenyl and Fluorenyl Complexes. M. J. S. Dewar and H. S. Rzepa, Inorg. Chem , 1978, 18 , 602-605.
  19. Semiempirical Calculations of Molecular Vibrational Frequencies: The MNDO Method. M. J. S. Dewar, G. P. Ford, M. L. McKee, H. S. Rzepa, W. Thiel and Y. Yamaguchi, J. Mol. Structure , 1978, 43 , 135-138.
  20. Ground States of Molecules. MINDO/3 Study of the Retro Diels Alder Reaction of Cyclohexene. M. J. S. Dewar, S. Olivella and H. S. Rzepa, J. Am. Chem. Soc. , 1978, 100 , 5650-5659.
  21. Ground States of Molecules. MNDO Calculations of Kinetic Isotope Effects. S. B. Brown, M. J. S. Dewar, G. P. Ford, D. J. Nelson and H. S. Rzepa, J. Am. Chem. Soc. , 1978, 100 , 7832-7836.
  22. Molecular Orbital Constraint of Interaction Coordinates. An approximate quadratic Potential Function. B. I. Swanson, T. H. Arnold, M. J. S. Dewar, J. J. Rafalko, H. S. Rzepa and Y. Yamaguchi. J. Am. Chem. Soc. , 1978, 100 , 771-777.
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    1979 Publications.
  23. Quadratic Potential Functions for the Boron Trihalides. J. J. Rafalko, H. S. Rzepa and B. I. Swanson, J. Mol. Spectrosc. , 1979, 75 , 363-367.
  24. MNDO Study of Transient Species. The Infra-red Spectrum of Benzyne. M. J. S. Dewar, G. P. Ford and H. S. Rzepa, J. Mol. Structure , 1979, 51 , 275-279.
  25. Theoretical Chemistry, H. S. Rzepa, Chapter 3 in "Ann. Rep. Prog. Chemistry", Royal Society of Chemistry, 1979, 31-43.
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    1980 Publications.
  26. Theoretical Chemistry, H. S. Rzepa, Chapter 3 in "Ann. Rep. Prog. Chemistry", Royal Society of Chemistry, 1980, 15-26.
    [1972|1975|1977|1978|1979|1980|1981|1982|1983|1984|1985|1986|1987|1988|1989|1990|1991|1992]
    1981 Publications.
  27. MNDO SCF-MO Calculations of Kinetic Isotope Effects for Dehydrochlorination Reactions of chloroalkanes. H. S. Rzepa, J. Chem. Soc., Chem. Commun. , 1981, 939-940.
  28. The Mechanism of [1,3] O to N Acyl Migrations. A MNDO SCF-MO Study. H. S. Rzepa, Tetrahedron , 1981, 37 , 3107-3110.
  29. MNDO Calculations for Compounds Containing Aluminum and Boron. L. P. Davis, R. M. Guidry, J. R. Williams, M. J. S. Dewar and H. S. Rzepa., J. Comp. Chem. , 1981, 2 , 433-445.
  30. Theoretical Chemistry, H. S. Rzepa, Chapter 3 in "Ann. Rep. Prog. Chemistry", Royal Society of Chemistry, 1981, 39-50.
  31. Assignment of the Structure of Dihydrodaphnine Diacetate by Nuclear Overhauser Effect Difference Spectroscopy. D. Neuhaus, H. S. Rzepa, R. N. Sheppard and I. R. C. Bick, Tetrahedron Lett. , 1981, 22 , 2933-2936.
  32. Rotational Isomerism between the E and Z Forms of o -Substituted Benzo- N -Methyl Hydroxamic acids in Strong Acid. A. M. Lobo, S. Prabhakar, M. R. Tavares and H. S. Rzepa, Tetrahedron Lett. , 1981, 22 , 3007-3008.
    [1972|1975|1977|1978|1979|1980|1981|1982|1983|1984|1985|1986|1987|1988|1989|1990|1991|1992]
    1982 Publications.
  33. A MNDO SCF-MO Study of the Phenol-Keto Tautomerism in Tricyclic [10]Annulenes. H. S. Rzepa, J. Chem. Res (S) , 1982, 324-325 (S).
  34. MNDO SCF-MO Calculations of Equilibrium Isotope Effects. S. Gabay and H. S. Rzepa, J. Chem. Soc., Faraday Trans. 2, 1982, 78 , 671-677.
  35. Two-dimensional d/J-Resolved [31]P NMR Spectroscopy of [Bis(diphenylphosphino)-methane] (trimethylphosphine)chlororhodium(I). K. W. Chiu, H. S. Rzepa, R. N. Sheppard, G. Wilkinson and W-K. Wong, J. Chem. Soc., Chem. Commun. , 1982, 482-484.
  36. Trimethyl and Diethylphenylphosphine Complexes of Rhenium (I, III, IV, V) and their Reactions. X-Ray Crystal Structures of a bis([[eta]][5]-cyclopentadienyl)-ethane Bridged Dirhenium(I) complex Obtained from Phenylacetylene, Tetrakis-(diethylphenylphosphine) (Dinitrogen) hydridorhenium (I), Tetrakis-(trimethylphosphine) ([[eta]] [3]-dimethylphosphinomethyl) Rhenium(I) and Tetrakis-(trimethylphosphine) (Iodo) Methyl Rhenium(III) Iodide-Tetramethylphosphonium Iodide. K. W. Chiu, C. G. Howard, H. S. Rzepa, R. N. Sheppard, G. Wilkinson, A. M. R. Galas and M. B. Hursthouse, Polyhedron , 1982, 1 , 441-451.
  37. Bis(Diphenylphosphino)Methane Trimethylphosphine Alkyl and [[eta]][5]-Cyclopentadienyl Compounds of Rhodium(I); [31]P{[1]H} Two Dimensional d/J Resolved and Overhauser Effect Nuclear Magnetic Resonance Spectroscopy. K. W. Chiu, H. S. Rzepa, R. N. Sheppard, G. Wilkinson and W.-K. Wong. Polyhedron , 1982, 1, 809-817.
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    1983 Publications.
  38. A Kinetic Model for the Formation of Gastric N-Nitroso Compounds. B. C. Challis, S. J. Lomas, H. S. Rzepa, P. M. G. Bavin, D. W. Darkin, N. J. Viney and P. J. Moore, Banbury Report 12 . 1983, 243-256.
  39. MNDO SCF-MO Study of the Relative Stabilities of Carbonyl Imines. K. E. Porter and H. S. Rzepa, J. Chem. Res (S) , 1983, 262-263 (S).
  40. Ground States of Molecules. MNDO Results for Molecules Containing Chlorine. M. J. S. Dewar and H. S. Rzepa, J. Comp. Chem., 1983, 4 , 158-169.
  41. The Regiospecific Alkylation of Amides. MNDO SCF-MO Calculations. B. C. Challis, J. N. Iley and H. S. Rzepa, J. Chem. Soc., Perkin Trans. 2 , 1983, 1037-1041.
  42. A MNDO SCF-MO Theoretical Study of the Mechanism of [1,2] Migrations in Free Radicals as a Model for Coenzyme B12 Mediated Rearrangement Reactions. J. J. Russell, H. S. Rzepa and D. A. Widdowson, J. Chem. Soc., Chem. Commun., 1983, 625-627.
  43. C -Substitution Reactions of C,N -Diaryl Nitrones. A. M. Lobo, S. Praphakar, H. S. Rzepa, A. C. Skapski, M. R. Tavares and D. A. Widdowson, Tetrahedron , 1983, 39 , 3833-3841.
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    1984 Publications.
  44. X-Ray and SCF-MO Model Study of the Complex Formed between N-Bromosuccinimide and 1,4-Diazabicyclo[2.2.2]octane. E. H. Crowston, A. M. Lobo, S. Prabhakar, H. S. Rzepa and D. J. Williams, J. Chem. Soc., Chem. Commun. , 1984, 276-278.
  45. A Convenient Method for the Synthesis of Hydroxy-thiobenzamides (C-Arylthiohydroxamic Acids). S. Prabhakar, A. M. Lobo, M. Amelia Santos and H. S. Rzepa, Synthesis , 1984, 829-831.
  46. A [1]H NMR and Ab Initio SCF-MO Study of Thiophenium Methylides. T. Bowles, A. E. A. Porter, J. A. Rechka and H. S. Rzepa, J. Chem. Soc., Chem. Commun., 1984, 859-861.
  47. An X-Ray Crystallographic, [1]H Nuclear Magnetic Resonance and MNDO SCF-MO Conformational Study of o-Substituted N-Benzylbenzothiohydroxamic Acids. A. M. Lobo, S. Prabhakar, M. A. Santos, H. S. Rzepa and D. J. Williams. J. Chem. Soc., Perkin Trans 2., 1984, 1511-1516.
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    1985 Publications.
  48. Structural Reappraisal of the Limonoid Insect Antifeedant Azadirachtin. J. N. Bilton, H. B. Broughton, S. V. Ley, Z. Liddert, E. David Morgan, H. S. Rzepa and R. N. Sheppard, J. Chem. Soc., Chem. Commun., 1985, 968-971.
  49. An Ab Initio SCF-MO Study of the Protonation of the Isolelectronic Series N2 to BeNe. H. S. Rzepa, J. Mol.Struct . (Theochem) , 1985, 121 , 313-315.
  50. 2 H -Thiopyrans as Intermediates in the Rearrnagement of Thiophenium Bisalkoxylcarbonyl-methylides to Thiophene-2-malonates: the Crystal and Molecular Structures of 2,2-Bis- t -butoxycarbonyl-5-bromo-2 H -thiopyran and 2,2-Bis- t -butoxycarbonyl-6-bromo-2 H -thiopyran. T. Bowles, R. Jones, A. E. A. Porter, J. A. Rechka, H. S. Rzepa and D. J. Williams, J. Chem. Soc., Chem. Commun. , 1985, 1590-1592.
  51. Novel Triterpenoids from the Fungus Pisolithus Tinctorius. A. M. Lobo, P. M Abreu, S. Prabhakar, L. S. Godinho, H. S. Rzepa and R. N. Sheppard, Tetrahedron Lett ., 1985, 26 , 2589-2592.
  52. High-Pressure Synthesis, Structures and Conformational Properties of Some Derivatives of 7-Azabicyclo[2.2.1]heptane. X-Ray Determination of endo -1-Benzoyl-4-phenyl-4,10-diazatricyclo [5.2.1.0[2,6]]dec-8-ene-3,5-dione and exo -1-Acetyl-4-phenyl-4,10-diazatricyclo[5.2.1.0[2,6]]-decane-3,5-dione. M. G. B. Drew, A. V. George, N. S. Isaacs and H. S. Rzepa, J. Chem. Soc., Perkin Trans. 1, 1985, 1277-1284.
  53. A Novel Hydrogen-bonded Complex formed by Reaction between Bromine and 1,4-Diazacyclo[2.2.2]octane in dichloromethane Solution. B. L. Allwood, P. I. Moysak, H. S. Rzepa and D. J. Williams, J. Chem. Soc., Chem. Commun. , 1985, 1127-1129.
  54. Magnetic Non-equivalence in the Low-temperature NMR Spectra of N -Benzyl- N -Methylhydroxylamine and its Anion. Comparison with SCF-MO Calculations. A. M. Lobo, S. Prabhakar, M. A. Santos and H. S. Rzepa., Rev. Port. Quim. , 1985, 27 , 492-499.
  55. Tetrahedral Intermediates formed during Acyl Transfer. Reactions of Acetyl Cyanide. A. M. Lobo, M. M. Marques, S. Prabhakar and H. S. Rzepa, J. Chem. Soc., Chem. Commun., 1985, 1113-1115.
  56. > Electronic and Crystallographic Structures of Trithiadiazepines. R. Jones, J. L. Morris, A. W. Potts, C. W. Rees, D. J. Rigg, H. S. Rzepa and D. J. Williams, J. Chem. Soc., Chem. Commun. , 1985, 398-400.
  57. An MNDO SCF-MO Study of the Mechanism of the Cannizzaro Reaction. H. S. Rzepa and J. Miller, J. Chem. Soc., Perkin Trans. 2 , 1985, 717-723.
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    1986 Publications.
  58. Concerted Dihydrogen Exchange between Methanol and Formaldehyde. A Theoretical Study. M. L. McKee, P. B. Shevlin and H. S. Rzepa, J. Am. Chem. Soc., 1986, 108 , 5793-5798.
  59. Auranthine, a New Benzodiazepinone Metabolite of Penicillium aurantiogriseum . S. E. Yeulet, P. G. Mantle, J. N. Bilton, H. S. Rzepa and R. N. Sheppard. J. Chem. Soc., Perkin Trans. 1, 1986, 1891-1894.
  60. The Structure of an Abietic Acid Dimer. B. Gigante, R. Jones, A. M. Lobo, M. J. Marcelo-Curto, S. Prabhakar, H. S. Rzepa, D. J. Williams and D. F. Zinkel. J. Chem. Soc., Chem. Commun., 1986, 1038-1039.
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    1987 Publications.
  61. Tetrahedral Intermediates Formed by Nitrogen and Oxygen Attack of Aromatic Hydroxylamines on Acetyl Cyanide. A. M. Lobo, M. M. Marques, S. Prabhakar and H. S. Rzepa, J. Org. Chem. , 1987, 52 , 2925-2927.
  62. Characterising a Tetrahedral Intermediate in an Acyl Transfer Reaction. H. S. Rzepa, A. M. Lobo, M. M. Marques and S. Prabhakar, J. Chem. Ed. , 1987, 64 , 725-726.
  63. Volumes of Reaction for the Formation of Some Analogues of Tetrahedral Intermediates. N. S. Isaacs, H. S. Rzepa, R. N. Sheppard, A. M. Lobo, S. Prabhakar and A. E. Merbach. J. Chem. Soc., Perkin Trans. 2 , 1987, 1477-1482.
  64. > An Ab Initio SCF-MO Study of the Relative Stability of Carbonyl Imines. J. A. Altmann and H. S. Rzepa, J. Mol.Struct . (Theochem) , 1987, 149 , 33-38.
  65. An X-Ray Crystallographic, Mass Spectroscopic and NMR Study of the Limonoid Insect Antifeedant Azadirachtin and Related Derivatives. J. N. Bilton, H. B. Broughton, P. S. Jones, S. V. Ley, Z. Lidert, E. D. Morgan, H. S. Rzepa, R. N. Sheppard, A. M. Z. Slawin and D. J. Williams. Tetrahedron, 1987, 43 , 2805-2815.
  66. An SCF-MO Study of the Relative Barriers to Inversion and to Ring Opening in Three-membered Ring Carbanions. I. Rajyaguru and H. S. Rzepa, J. Chem. Soc., Perkin Trans. 2 , 1987, 359-363.
  67. The Base Catalysed Dimerisation of 2-Methylpropenol. A MNDO SCF-MO Study of the Reaction Mechanism. I. A. Gad El-Karim and H. S. Rzepa, J. Chem. Soc., Chem. Commun., 1987, 193-194.
  68. The Mechanism of Phosphoryl to Carbonyl Migration of Amino Groups in Mixed Anhydrides. A MNDO SCF-MO Study. T. A. Modro, H. S. Rzepa and J. Symes, J. Chem. Soc., Perkin Trans. 2 , 1987, 767-770.
  69. The Reaction between Tetrasulphur Tetranitride (S4N4) and Electron-deficient Alkynes. A Molecular Orbital Study. P. J. Dunn and H. S. Rzepa, J. Chem. Soc., Perkin Trans. 2 , 1987, 1669-1670.
  70. Dihydrogen Transfer Reactions. An SCF-MO Study of the Relative Energies of the Concerted and Stepwise Pathways. D. K. Agrafiotis and H. S. Rzepa., J. Chem. Soc., Chem. Commun. , 1987, 902-904.
  71. Hydrogen Isotope Effects in Hydride Transfer Reactions of Formaldehyde and Glyoxal. An ab initio and MNDO SCF-MO Study. I. H. Rajyaguru and H. S. Rzepa, J. Chem. Soc., Chem. Commun. , 1987, 998-1000.
  72. An MNDO SCF-MO Study of the Mechanism of the Benzilic Acid and Related Rearrangements. I. Rajyaguru and H. S. Rzepa, J. Chem. Soc., Perkin Trans. 2 , 1987, 1819-1827.
  73. A Comparison of the MNDO and AM1 SCF-MO Methods for Dipolar Cycloaddition and the Claisen Reaction. L. Grierson, M. J. Perkins and H. S. Rzepa, J. Chem. Soc., Chem. Commun. , 1987, 1779-1781. DOI: 10.1039/C39870001779
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    1988 Publications.
  74. Thermally Induced Rearrangements of Thiopheniobis(alkoxycarbonyl)methanides. T. Bowles, R. J. Gillespie, E. E. A. Porter, J. A. Rechka and H. S. Rzepa, J. Chem. Soc., Perkin Trans. 1, 1988, 803-807.
  75. A Study of the Oxyanion Effect in Reactions of 2-Methyl-2-propenol. I. A. G. El-Karim, R. Jones, W. B. Motherwell, H. S. Rzepa and D. J. Williams, Tetrahedron , 1988, 44 , 1809-1823.
  76. > Conformational Analysis of Dibenzodioxaphosphocins by Variable Temperature [31]P{[1]H} Nuclear Overhauser Effect Spectroscopy. H. S. Rzepa and R. N. Sheppard, J. Chem. Research , 1988, 102-103 (S).
  77. Enzymatic Resolution of Bicyclo[4.2.0]oct-2-en-7-ol and the Preparation of some Polysubstituted Bicyclo[3.3.0]octan-2-one via Highly strained tricyclo[4.2.0.0[1,5]]octan-8-ones. I. C. Cotterill, H. Finch, D. P. Reynolds, S. M. Roberts, H. S. Rzepa, K. M. Short, A. M. Z. Slawin, C. J. Wallis and D. J. Williams, J. Chem. Soc., Chem. Commun. , 1988, 470-472.
  78. Evaluation of the Broyden-Fletcher-Goldfarb-Shanno (BFGS) Variable Metric Method in Geometry Optimisation using semiempirical SCF-MO Procedures. D. K. Agrafiotis and H. S. Rzepa, J. Chem. Research , 1988, 100-101 (S).
  79. Thermally induced Rearrangement of Thiopheniobis(alkoxycarbonyl)methanides. A MNDO SCF-MO Study. E. E. A. Porter and H. S. Rzepa, J. Chem. Soc., Perkin Trans. 1, 1988, 809-812.
  80. Cheletropic Elimination Reactions. A Comparison of the MNDO, AM1 and Ab Initio SCF-MO Methods, H. S. Rzepa, J. Chem. Res., 1988, 224.
  81. An Essentially Planar Conformation Determined for an Arylsulphonylurea by Low-Temperature Nuclear Overhauser Effect Spectroscopy, P. Camilleri, B. Odell, H. S. Rzepa and R. N. Sheppard, J. Chem. Soc., Chem. Commun , 1988, 1132.
  82. Stereoelectronic Effects in R-NSN-R Systems. An MNDO and Ab Initio SCF-MO Study, H. S. Rzepa and J. D. Woollins, J. Chem. Soc., Dalton Trans. , 1988, 3051.
  83. Photo-oxidation of Abietic Acids Derivatives. An NMR and Molecular Modelling Study, B. Gigante, A. M. Lobo, S. Prabhakar and H. S. Rzepa, Tetrahedron Computer Methodology , 1988, 1 , 133.
  84. Triterpenoids of the Fungus Pisolithus Tinctorius. A. M. Lobo, P. M. de Abreu, S. Prabhakar, L. S. Godinho, R. Jones, H. S. Rzepa and D. J. Williams, Phytochemistry , 1988, 11 , 3569.
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    1989 Publications.
  85. Vibrational Spectra of Sulphur-Nitrogen heterocycles: [S4N3]Cl and [S3N2Cl]Cl. I. Nevitt, H. S. Rzepa and J. D. Woollins, Spectrochim Acta. , 1989, 45 , 367.
  86. An SCF-MO Study of Dihydrogen Elimination Reactions. D. K. Agrafiotis and H. S. Rzepa, J. Chem. Soc., Perkin Trans. 2 ,1989, 367.
  87. An SCF-MO Study of Dihydrogen Transfer Reactions. D. K. Agrafiotis and H. S. Rzepa, J. Chem. Soc., Perkin Trans. 2 , 1989, 475.
  88. Photo-oxidation of Resin Acids, A. M. Lobo, P. M. de Abreu, S. Prabhakar, L. S. Godinho, H. S. Rzepa , J. Nat. Products , 1989, 52 , 85.
  89. A Comparison of semiempirical SCF-MO and Ab initio Energy Surfaces for the Beckmann Rearrangement, P. A. Hunt and H. S. Rzepa, J. Chem. Soc., Chem. Commun., 1989, 623. DOI: 10.1039/C39890000623
  90. X-Ray Crystallographic and Theoretical Studies of Factors Affecting the Ease of Reduction of Dioxathiadiazaheteropentalenes. P. Camilleri, H. S. Rzepa, A. M. Z. Slawin, and D. J. Williams, J. Chem. Soc. Perkin Trans. 2, 1989, 469.
  91. An Ab Initio SCF-MO Study of Novel Stereoelectronic Effects in Linear R2S3N2 and Cyclic XS3N2 systems. R. M. Bannister and H. S. Rzepa, J. Chem. Soc. Dalton Trans. , 1989, 1609.
  92. Structure-Reactivity Studies of the Hydrolysis of Oxazolinyldioxepin Derivatives, P. Camilleri, D. Munro, K. Weaver, D. J. Williams, H. S. Rzepa and M. Z. Slawin, J. Chem. Soc. Perkin Trans. 2 , 1989, 1265 or 1929.
  93. Isoxazolinyldioxepines. Part 2. The Partitioning Characteristics and the Complexing Ability of somd Oxazolinyl-dioxepin Derivatives., P. Camilleri, D. Munro, K. Weaver, D. J. Williams, H. S. Rzepa and M. Z. Slawin, J. Chem. Soc. Perkin Trans. 2 , 1989, 1271 or 1935.
  94. X-Ray Crystallographic and NMR Evidence for an Uniquely Strong OH...N Hydrogen bond in the Solid State and Solution. P. Camilleri, C. A. Marby, B. Odell, H. S. Rzepa, R. N. Sheppard, J. J. P. Stewart and D. J. Williams, J. Chem. Soc., Chem. Commun., 1989, 1722.
  95. PM3 Potential Energy Surfaces for Phosphoryl Transfer Reactions. H. S. Rzepa and M. Yi, J. Chem. Soc., Chem. Commun., 1989, 1502-4. DOI: 10.1039/C39890001502
  96. A Comparison of semiempirical and Ab initio SCF-MO Potential Energy Surfaces for the Reaction of H2C=O with R3P=CH2 and RP=CH2. H. S. Rzepa, J. Chem. Soc. Perkin Trans. 2 , 1989, 2115. DOI: 10.1039/P29890002115
  97. Molecule: A GKS Graphical Display Package, D. K. Agrafiotis, A. Streitwieser and H. S. Rzepa, QCPE , 1989, 9 , Program 583.
  98. Isolation of the Phytotoxin Radicinin from Curvularia clavata Jain , M. Vujcic, V. Soskic, R. M. Jankov, D. J. Williams, R. Jone, H. S. Rzepa and R. N. Sheppard, J. Serbian Chem. Soc. , 1989, 54, 687.
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    1990 Publications.
  99. A PM3 SCF-MO Study of the Structure and Bonding in the Cage Systems S4N4 and S4N4X (X=N [+], N[-], S, N2S, P[+], C, Si, B[-] and Al[-]). H. S. Rzepa and J. D.Woollins, Polyhedron , 1990, 9 , 107.
  100. Molecular Orbital Studies of Molecular Exciplexes. Part 1: AM1 and PM3 Calculations of the Ammonia-Oxygen complex and its Solvation by Water. I. Juranic, H.S. Rzepa and M. Yi, J. Chem. Soc. Perkin Trans. 2, 1990, 877.
  101. A Quantitative Molecular Orbital Study of the Structures and Vibrational Spectra of the Hydrogen Bonded Complexes H2O.NH3, H2CO.NH3 and (H2O)n, n=2-4. H. S. Rzepa and M.Yi, J. Chem. Soc. Perkin Trans. 2, 1990, 943.
  102. Location of Transition States in AMPAC and MOPAC using Eigenvector Following (EF). J. Baker, F. Jensen, H. S Rzepa and A.Stebbings, Quantum Chemistry Program Exchange Bulletin , 1990, 10 , 76.
  103. InterCon 1.0: A Program for Interconverting Molecular Coordinates. S. Green and H.S Rzepa, Quantum Chemistry Program Exchange Bulletin , 1990, 10 , Program 598.
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    1991 Publications.
  104. An AM1 and PM3 Molecular Orbital and Self-Consistent-Reaction-Field Study of the Aqueous Solvation of Glycine, Alanine and Proline in their Neutral and Zwitterionic Forms. H. S. Rzepa and M.Yi, J. Chem. Soc. Perkin Trans. 2, 1991, 531
  105. Photochemistry of Aromatic Resin Acids, B. Gigante, M. J. Marcelo-Curto, A. N. Lobo, C. O'Mahoney, S. Prabhakar , H. S. Rzepa and D. J. Williams, J. Nat. Prod. , 1991, 54 , 247.
  106. p-Facial Hydrogen Bonding in the Chiral Resolving agent (S) 2,2,2-Trifluoromethyl-1-(9-Anthryl)ethanol and its Racemic Modification, H.S. Rzepa, M. L. Webb, A. M. Z. Slawin and D. J. Williams, J. Chem. Soc., Chem. Commun., 1991, 765.
  107. Geometry Optimisation at the semiempirical Self-Consistent-Reaction-Field Level using the AMPAC and MOPAC Programs. H. S. Rzepa, M. Yi, M. Karelson and M. C. Zerner, J. Chem. Soc. Perkin Trans. 2, 1991, 636.
  108. Transition State Structure in Cycloaddition Reactions as a Function of Ring Size and Geometry H. S. Rzepa and W. A.Wylie, J. Chem. Soc. Perkin Trans. 2, 1991, 939.
  109. The Preparation, X-Ray structure and Theoretical Study of [CoCp2][S3N3], a Novel Stacking Complex Incorporating Multiple C-H...N or p Interactions. P. N. Jagg, P. F. Kelly, H. S. Rzepa, D. J. Williams, J. D. Woollins and W. Wylie, J. Chem. Soc., Chem. Commun., 942.
  110. 2-Acyl Thiazolium Salts as Selective Agents for the O-Acylation of Aromatic Hydroxylamines, L. M. Ferreira, A. M. Lobo, S. Prabhakar, M. J. Marcelo-Curto, H. S. Rzepa and M. Yi, J. Chem. Soc., Chem. Commun., 1991, 1127.
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    1992 Publications.
  111. Rank Correlation of AM1 and PM3 Derived Molecular Electrostatic Potentials (RACEL) with Hammett sp-Parameters, H. B. Broughton, S. M. Green, and H. S. Rzepa J. Chem. Soc., Chem. Commun , 1992, 37.
  112. An SCF-MO Study of the Transition State for Cycloaddition between Styrene and Butyl Cyanoketene, H. S. Rzepa and W. A. Wylie, Int. J. Quant. Chem. , 1992, 44 , 469
  113. A Molecular Orbital and Crystallographic Study of the Structure and p-Facial Regioselectivity of 9-Chloro 1,4,5,8-tetrahydro-4a,8a-Methanonaphthalene, B. Halton, R. Boese and H. S. Rzepa, J. Chem. Soc., Perkin Transactions 2 , 1992, 447
  114. Molecular Design: Discovery or Invention?, H. S. Rzepa, Chem. Ind. , 1992, 337.
  115. An AM1 And PM3 Molecular Orbital Study Of The Pericyclic Reactivity Of Aryl Carbodi- Imides, H. S. Rzepa, P. Molina, M. Alajarin and A. Vidal, Tetrahedron , 1992,7425
  116. Origins of the Regiospecificity of Cyclopropylcarbinyl Ring Opening Reactions in Bicyclo [n.1.0] Systems, Robert A. Batey, Peter Grice, John D. Harling, William B. Motherwell and Henry S. Rzepa, J. Chem. Soc., Chem. Commun , 1992,942
  117. Electrostatic vs Orbital Control in p-Facial Diasteroselection: A PM3 SCF-MO Study of Electrophilic Reactivity in 7-Methylenenorbornanes, H. B. Broughton, S. M. Green and H. S. Rzepa, J. Chem. Soc., Chem. Commun , 1992,998.
  118. Aryl Group p-Facial Electrostatic Asymmetry as a Contributing Factor to Chiral Resolution on b-Cyclodextrin HPLC Phases, P. Camilleri, H. S. Rzepa and S. M. Green, J. Chem. Soc., Chem. Commun , 1992, 1122
  119. Prediction of the Histidine-95 pKa Perturbation in Triosephosphate Isomerase using an Electrostatically Trained Neural Network (SONNIC), H. B. Broughton, S. M. Green and H. S. Rzepa, J. Chem. Soc., Chem. Commun , 1992, 1178.
  120. An Unusual Example of Stereoelectronic and Entropic Control in the Ring Opening of 3,3 Disubstituted-1,2-Dichloro-Cyclopropenes.M. S. Baird, J. R. Al Dulayymi, H. S. Rzepa and V. Thoss, J. Chem. Soc., Chem. Commun , 1992,1323.
  121. Reduction of Nitrosoarenes by 2-(a-Hydroxy-ethyl)-3,4-dimethylthiazolium salts, M. L. Ferreira, H. T. Chaves, A. M. Lobo, S. Prabhakar and H. S. Rzepa, J. Chem. Soc., Chem. Commun , 1992,1323.
  122. ChemDraw; The Chemical Office, H. S. Rzepa, Chem. Ind. , 1992, 572
  123. The CAChe Reactivity Modelling system, H. S. Rzepa, Chem. Ind. , 1992. 998.
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