Not-so-Recent Publications

are grouped into three categories: ab initio electronic structure theory (you can also see my more recent efforts in that area); radiation chemical theory; and photochemical (photophysical) data and theory. By the way, a gallery of the entire output in photochemistry from the Radiation Chemisty Data Center is also available.

Ab initio Electronic Structure Theory

Ab Initio CI study of the hyperfine coupling in F2(-)
Carmichael, I. J. Phys. Chem. 91 6443-5 (1987).
Ab initio configuration interaction study of the structure and magnetic properties of radicals and radical ions derived from Group 13-15 trihydrides
Carmichael, I. Chem. Phys. 116 351-67 (1987).
Structure and magnetic properties of AH3 and AMe3 inorganic radicals and radical ions (A = Al-, Si, P+) by ab initio calculation
Carmichael, I. Inorg. Chim. Acta. 117 75-9 (1986).
Ab initio molecular orbital calculations on isolated vibrational frequencies in AMe3 species
Carmichael, I. J. Phys. Chem. 90 2057-60 (1986).
Ab initio molecular orbital calculations on the tert-butyl radical, its neighboring isoelectronic radical ions and their third row congeners
Carmichael, I. J. Phys. Chem. 89 4727-32 (1985).
Electron spin properties of complexes formed by Li or Na with CO2(-)
Bentley, J.; Carmichael, I. J. Phys. Chem. 89 4040-2 (1985).
The inclusion of d-type Gaussian functions in the analytic method for the calculation of electrostatic molecular potentials exemplified by the interaction of a proton or positive muon with carbon monoxide
Webster, B.; Hilczer, M.;Ramos, M.J.;Carmichael, I. J. Chem. Soc., Faraday Trans 2, 81 1761-9 (1985).
Comparison of the magnetic properties and harmonic force fields of NO2 and CO2(-)
Carmichael, I.; Bentley, J. J. Phys. Chem. 89 2951-4 (1985).
Ab initio calculation of the structure and properties of some lithium-Lewis base complexes
Bentley, J.; Carmichael, I. J. Phys. Chem. 85 3821-6 (1981).

Back to more recent efforts in electronic structure theory

Radiation Chemistry Theory

Absorption spectra of dimer negative ions
Carmichael, I.; Funabashi, K. J. Chem. Phys. 78 23-6 (1983).
Bibliographies on radiation chemistry: VIII. Radiation chemistry of crystalline ice
Gillis, H. A.; Carmichael, I. Radiat. Phys. Chem. 22 981-7 (1983).
Application of the photoinduced electron transfer model to the hydrated electron spectrum
Hug, G.L.; Carmichael, I. J. Phys. Chem. 86 3410-5 (1982).
Bibliographies on radiation chemistry: IV. Trapped electrons in glasses
Carmichael, I.; Funabashi, K.; Ross, A.B.; Helman, W.P. Radiat. Phys. Chem. 17 309-27 (1981)
Moment theory analysis of e-(ROH) optical absorption spectra
Carmichael, I. J. Phys. Chem. 84 1076-83 (1980).
Response to "Parity and differentiability restrictions on the electric field dependence of the mobility of charged particles in gases and liquids"
Carmichael, I. J. Chem. Phys. 70 1576 (1979).
Compton profiles of solvated electrons
Carmichael, I.C.; Webster, B.C. Chem. Phys. Lett. 61 96-9 (1979).
CIDEP during the photolysis of di-tert butyl ketone
Carmichael, I.; Paul, H. Chem. Phys. Lett. 67 519-23 (1979).
Photon-induced electron transfer transitions of the solvated electrons
Funabashi, K.; Carmichael, I.; Hamill, W.H. J. Chem. Phys. 69 2652-6 (1978).
Spectral moments of solvated electrons
Carmichael, I. Chem. Phys. Lett. 56 339-42 (1978).
Solvated electron wavefunctions
Carmichael, I. J. Chem. Phys. 68 4644-50 (1978).
Numerical solution of semicontinuum models for excess electrons
Webster, B.C.; Carmichael, I.C. J. Chem. Phys. 68 4086-92 (1978).
Effect of field-dependent mobility on the escape probability. I. Electrons photoinjected in neopentane
Mozumder, A.; Carmichael, I. J. Chem. Phys. 68 3808-13 (1978).
Continuum model for solvated electrons
Carmichael, I.; Webster, B. J. Chem. Soc., Faraday Trans. 2 70 1570-7 (1974).

Photochemical Data and Theory

Handbook of Photochemistry 2nd edition.
Murov, S.; Carmichael, I.; Hug, G.L. Marcel Dekker, Inc. NY, 420 pp. (1993).
Bibliographies on radiation chemistry: VII. Triplet-triplet absorption spect ra. Part E (Jan., 1987 - Dec., 1989)
Carmichael, I.; Hug, G.L. Radiat. Phys. Chem. 36 829-43 (1990).
Molar absorption coefficients of transient species in solution
Bonneau, R.; Carmichael, I.; Hug, G.L. Pure & Appl. Chem. 63 289-99 (1991).
RCDC online: An integrated system containing bibliographic and numeric databases
Carmichael, I.; Helman, W.P.; Hug, G.L.; Ross, A.B. Proc. 11th International CODATA Conf., Karlsruhe, Germany, Sept. (1988).
Numeric databases on the kinetics of transient species in solution
Helman, W.P.; Hug, G.L.; Carmichael, I.; Ross, A.B. Radiat. Phys. Chem. 32 89-93 (1988).
Spectroscopy and intramolecular photophysics of triplet states
Carmichael, I.; Hug, G.L. Chapter 16 in CRC Handbook of Organic Photochemistry, J.C. Scaiano, Ed., CRC Press, Publ., pp. 369-403 (1989).
Bibliographies on radiation chemistry: VII. Triplet-triplet absorption spectra. Part D (Jan., 1985 - Dec., 1986)
Carmichael, I.; Hug, G.L. Radiat. Phys. Chem. 29 315-24 (1987).
Numeric databases on photochemistry and photophysics: Primary excited-state processes
Carmichael, I.; Hug, G.L.; Helman, W.P.; Ross, A.B. Proc. of 10th International CODATA Conf., Ottawa, Canada, July (1986) Elsevier Publishing Co., pp. 295-299 (1987).
Extinction coefficients of triplet-triplet absorption spectra of organic molecules in condensed phases: A least-squares analysis
Carmichael, I.; Helman, W.P.; Hug, G.L. J. Phys. Chem. Ref. Data 16 239-60 (1987).
A unified analysis of noncomparative methods for measuring extinction coefficients of triplet-triplet transitions
Carmichael, I.; Hug, G.L. Appl. Spectrosc. 41 1033-8 (1987).
Development and use of numeric databases for properties of metastable chemical species in solution
Helman, W.P.; Hug, G.L.; Carmichael, I.; Ross, A.B. J. Chem. Inf. Comput. Sci. 26 99-104 (1986).
Triplet-triplet absorption spectra of organic molecules in condensed phases
Carmichael, I.; Hug, G.L. J. Phys. Chem. Ref. Data 15 1-250 (1986).
A note on the total depletion method of measuring the extinction coefficient of triplet-triplet transitions
Carmichael, I.; Hug, G.L. J. Phys. Chem. 89 4036-9 (1985).
A critique of excitation models for partial saturation of transient absorbance
Hug, G.L.; Carmichael, I. J. Photochem. 31 179-92 (1985).
Bibliographies on radiation chemistry: VII. Triplet-triplet absorption spectra. Part C (April, 1982 - Dec., 1984)
Carmichael, I.; Hug, G.L. Radiat. Phys. Chem. 26 229-46 (1985).
Bibliographies on radiation chemistry: VII. Triplet-triplet absorption spectra. Part B (1976 - April, 1982)
Carmichael, I.; Hug, G.L. Radiat. Phys. Chem. 20 179-97 (1982).
Bibliographies on radiation chemistry: VII. Triplet-triplet absorption spectra. Part A (1941-75)
Carmichael, I.; Hug, G.L. Radiat. Phys. Chem. 20 119-34 (1982).
Comment on "Environmental effects on radiative rate constants with applications to linear polyenes"
Carmichael, I.C.; Sheng, S.J.; Hug, G.L. J. Chem. Phys. 70 5339-40 (1979).

Page prepared by Ian Carmichael	Work supported by
e-mail: carmichael.1@nd.edu	Office of Basic Energy Sciences
Last update: Jan. 7, 1999	United States Department of Energy