Publications of Mark S. Gordon as of 5th Apr. 2007
Supplementary Material for selected publications
6. W. England and M.S. Gordon,"Localized Charge Distributions. I.General Theory, Energy Partitioning, and the Internal Rotation Barrier in Ethane", J. Am. Chem. Soc.,93,4649(1971)
7. W. England and M.S. Gordon,"Localized Charge Distributions. II. An Interpretation of the Barriers to Internal Rotation in H2O2",J. Am. Chem. Soc., 94, 4818(1972).
8. M.S. Gordon and W. England,"Localized Charge Distributions. III.Transferability and Trends of Carbon-Hydrogen Moments and Energies in Acyclic Hydrocarbons", J. Am. Chem. Soc.,94, 5168(1972).
9. M. S. Gordon and W. England,"Localized Charge Distributions.IV.The Internal Rotation Barrier in Borazane", Chem. Phys. Lett.,15, 59(1972).
10. M. S. Gordon and D. E. Tallman,"Localized Orbital Studies of Hydrogen Bonding. I. General Approach and Applications to Water, Formic Acid, and Pyruvic Acid", Chem. Phys. Lett., 17,385,(1972).
11. M. S. Gordon and W. England,"Localized Charge Distributions. V.The Internal Rotation Barriers in Methylamine, Methyl Alcohol, Propene, and Acetaldehyde",J. Am. Chem. Soc.,95,1753(1973).
12. M. S. Gordon and R. D. Koob,"An INDO Investigation of the Structure and Bonding of Acetylacetone and Trifluoroacetylacetone", J. Am. Chem. Soc., 95, 5863 (1973).
13. M. S. Gordon and L. Neubauer,"Second Row Molecular Orbital Calculations. I.Geometries, Internal Rotation Barriers, and Dipole Moments of Methylsilane, Disilane, Methyl Mercaptan, and Methyl Phosphine", J. Am.Chem.Soc., 96,5690(1974).
14. M. S. Gordon, "Localized Charge Distributions. VI. Internal Rotation in Formaldoxime and Formic Acid", J. Molec. Struct.,23,399(1974).
15. F.J. Marsh, B.G. Thomas, and M.S. Gordon, "An INDO Investigation of the Structure and Bonding in Malondialdehyde and Lithium Malondialdehyde", J. Molec. Struct.,25,101(1975).
16. M.S. Gordon, D.E. Tallman, C. Monroe, M. Steinbach, and J. Armbrust, "Localized Orbital Studies of Hydrogen Bonding. II. Dimers Containing H2O, NH3,H2CO, and HCN",J. Am. Chem. Soc., 97, 1326 (1975).
17. W. England, M.S. Gordon, and K. Ruedenberg,"Localized Charge Distributions. VII. Transferable Localized Molecular Orbitals for Acyclic Hydrocarbons", Theoret. Chim. Acta,37, 177(1975).
18. P.M. Saatzer, R.D. Koob, and M.S. Gordon,"Excited States and Photochemistry of Saturated Molecules. I. General Approach and Application to Propane", J. Am. Chem. Soc.,97,5054(1975).
19. M. S. Gordon, B. Richards, and M. Korth, "Second Row Molecular Orbital Calculations. II. Semiempirical Calculations of Dipole Moments", J. Molec. Struct.,28,255(1975).
20. F.J. Marsh and M.S. Gordon, "Second Row Molecular Orbital Calculations. III. Semiempirical Calculations of Geometries", J. Molec. Struct., 31,345(1976).
21. P.M. Saatzer, M.S. Gordon, and R.D. Koob,"A Localized Orbital Study of the Rearrangements CH3CH -> CH2=CH2 and (CH3)2C -> CH3CH=CH2",Chem. Phys. Lett.,37,217(1976).
22. M.S. Gordon,"Excited States and Photochemistry of Saturated Molecules. II. Methylene Fluoride", Chem. Phys. Lett.,37, 593(1976).
23. M.L. Morris,D.E. Tallman, and M.S. Gordon,"Localized Orbital Studies of Hydrogen Bonding. III. The Intramolecular Hydrogen Bond in 4- Methylimino-2-pentanone", J. Molec. Struct.,34,263(1976).
24. J.W. Caldwell and M.S. Gordon,"SCF Calculations on Excited States", Chem. Phys. Lett., 43, 493 (1976).
25. M.S. Gordon,"Excited States and Photochemistry of Saturated Molecules. IV. Ab Initio Calculations on Methane", Chem. Phys. Lett.,44, 507(1976).
26. F.J. Marsh and M.S. Gordon,"Second Row Molecular Orbital Calculations IV. Minimal and Near-Minimal Basis Set Calculations on Second Row Diatomics", Chem. Phys. Lett., 45, 255 (1977).
27. P.M. Saatzer, M.S. Gordon, and R.D. Koob,"Excited States and Photochemistry of Saturated Molecules. III. Structure and Bonding in Excited States of n-Alkanes Using INDO-CI",J.C.S. Far. Trans. II.,73,829(1977).
28. M.S. Gordon and J.W. Caldwell,"Structure and Bonding in Excited of Saturated Molecules", in Excited States in Organic Chemistry and Biochemistry, B. Pullman and N. Goldblum, ed., D. Reidel Pub. Co., Dordrecht, Holland, 1977.
29. R. D. Reike, C.K. White, L.D. Rhyne, M.S. Gordon, and J.F.W. Omie, "An Electrochemical Investigation of the Effects of Antiaromaticity and Determination of the Antiaromatic Destabilization of Cyclobutadiene ",J. Am. Chem. Soc.,99, 5387(1977).
30. M.S. Gordon,"Excited States and Photochemistry of Saturated Molecules. VI. Extended Basis Calculations on the 1B1 (1T2) State of Methane",Chem. Phys. Lett.,52,161(1977).
31. M.S. Gordon, "The Methylsilylene-Silaethylene-Silylcarbene Isomerization", Chem. Phys. Lett.,54,9(1978).
32. M.S. Gordon, M.D. Bjorke, F.J. Marsh, and M.S. Korth,"Second Row Molecular Orbital Calculations. V. A Minimal Basis INDO for Na-Cl", J. Am. Chem. Soc.,100,2670(1978).
33. M.L. Morris and M.S. Gordon, "Localized Orbital Studies of Hydrogen Bonding. IV. The Intramolecular Hydrogen Bonds in Salicylaldehyde and Salicylaldimine", Adv. Molec. Relax. Int. Proc.,13, 95(1978).
34. J.W. Caldwell and M.S. Gordon,"Excited States and Photochemistry of Saturated Molecules. VIII. Minimal Plus Rydberg Basis Set Calculations on the Vertical Spectra of CH4, C2H6, C3H8, and C4H10 Chem. Phys. Lett., 59,403(1978).
35. M.S. Gordon,"Excited States and Photochemistry of Saturated Molecules. IX. Vertical Excited States of Silane", J. Chem. Phys.,69,4955(1978).
36. M.S. Gordon,"Structure and Stability of SiH4+", Chem. Phys. Lett., 59,410(1978).
37. M.S. Gordon and J.W. Caldwell,"Excited States and Photochemistry of Saturated Molecules. VII. Potential Energy Surfaces in Excited Singlet States of Methane", J. Chem. Phys.,70,5503(1979).