Ernest R. Davidson

Representative Publications

“Model Molecular Magnets.”, A.E. Clark and E.R. Davidson, J. Phys. Chem. A, 106 7456 (2002).

“Local Spin II.”, A.E. Clark and E.R. Davidson, Molec. Phys., 100 373 (2002).

“Local Spin.”, A.E. Clark, and E.R. Davidson, J. Chem. Phys. 115 7382 (2001).

“The Cope rearrangement in theoretical retrospect.”, V.N. Staroverov and E.R. Davidson, J. Mol. Struct.: Theochem. 573 81 (2001).

“Theoretical Study of the Photoelectron Spectra of Gaseous Cu3Cl3.”,P.R. Koren, F. Chen, and E.R. Davidson, Molec. Phys., 99 1329 (2001).

“Ab initio Compton maps of small molecules.”, V.N. Staroverov and E.R. Davidson, Molec. Phys., 99 175 (2001).

“Distribution of Effectively Unpaired Electrons.”, V.N. Staroverov and E.R. Davidson, Chem. Phys. Lett., 330 161 (2000).

“Transition Regions in the Cope Rearrangement of 1,5-Hexadiene and its Cyano Derivatives.”, V.N. Staroverov and E.R. Davidson, J. Am. Chem. Soc., 122 7377 (2000).

“Fate of CH2=CHE (E = H, OMe) in the presence of unsaturated Ru(X)(H)L2q+ (X = Cl, q = 0; X = CO, q = 1): Highly sensitive to X and E.”, H. Gerard, E. Clot, C. Giessner-Prettre, K.G. Caulton, E.R. Davidson, and O. Eisenstein, Organometallics, 19 2291 (2000).

“Is the hydrogen bond in water dimer and ice covalent?”, T.K. Ghanty, V.N. Staroverov, P.R. Koren, and E.R. Davidson, J. Am. Chem. Soc., 122 1210 (2000).

“The diradical character of the Cope rearrangement transition state.”, V. N. Staroverov and E.R. Davidson, J. Am. Chem. Soc., 122 186 (2000).

“Theoretical interpretation of the photoelectron spectra of Al3O2 and Al3O3.”,T.K. Ghanty and E.R. Davidson, J. Phys. Chem. A, 103 8985 (1999).

“Electron spin resonance and theoretical studies of the 14N...14N and 15N...15N spin-pair radicals in neon matrices: The effects of mixing among the 1Sigmag+, 3Sigmau+, 5Sigmag+, 7Sigmau+ electronic states.”, L.B. Knight, Jr., B.A. Bell, D.P. Cobranchi and E.R. Davidson, J. Chem. Phys., 111 3145 (1999).

“Thermal rearrangements of norcaradiene.”, A.A. Jarzecki, J. Gajewski and E.R. Davidson, J. Am. Chem. Soc., 121 6928 (1999).

“Electronic structure and low-lying electronic states of Al3O and Al3O¯: Photoelectron spectrum of Al3O¯.”, T.K. Ghanty and E.R. Davidson, J. Phys. Chem. A, 103 2867 (1999).

“Theoretical and Electron Spin Resonance Studies of the H...H, H...D, and D...D Spin-Pair Radicals in Rare Gas Matrices: A Case of Extreme Singlet-Triplet Mixing.”, L.B. Knight, Jr., W.E. Rice, L. Moore, E.R. Davidson and R.S. Dailey, J. Chem. Phys. 109 1409 (1998).

“Zero Point Corrections to Vertical Excitation Energies.”, E.R. Davidson and A.A. Jarzecki, Chem. Phys. Lett., 285 155 (1998).

“Electron Momentum Spectroscopy of H2 and D2: Ionization to Ground and Excited Final States.”, N. Lermer, B.R. Todd, N.M. Cann, Y. Zheng, C.E. Brion, Z.Z. Yang and E.R. Davidson, Phys. Rev. A, 56 1393 (1997).

“Insights into Theoretical Quantum Chemistry from Electron Momentum Spectroscopy.”, E.R. Davidson, Can. J. Phys., 74 757 (1996).

Back to Research Interest

Back to Research Interests

Awards & Activities

Awards

Sloan Fellow, 1967

Laureate, International Academy of Quantum Molecular Science, 1971
Guggenheim Fellow, 1974

ACS Award for Computers in Chemistry, 1992

Northwest University, Xi'an, China, Honorary Professor, 1994

Joseph O. Hirschfelder Prize in Theoretical Chemistry, Univ. of Wisconsin,1997-98

Honorary Doctorate of Engineering, Rose-Hulman Inst. of Technology, 1998

Distinguished Scholar Award, Indiana Academy of Science, 1998

American Chemical Society Award in Theoretical Chemistry, 2000

Honorary Doctorate of Philosophy, Uppsala University, 2000

Distinguished Hoosier Award, 2000

Schrödinger Medal, 2001

Boys-Rahman Lecture, Royal Society of Chemistry, 2002

National Medal of Science, 2002

Indiana University College of Arts and Sciences Alumni Award, 2002

Activities

Treasurer, American Conference on Theoretical Chemistry, 1974-2002

Advisory Editor, Journal of Computational Physics, 1975-97

Advisory Editor, International Journal of Quantum Chemistry, 1975-2000

Advisory Editor, Chemical Physics Letters, 1977-84

Associate Editor, Journal of the American Chemical Society, 1978-83

Advisory Editor, Journal of Physical Chemistry, 1982-90

Chairman, Physical Chemistry Division, American Chemical Society, 1983-84

Chairman, American Conference on Theoretical Chemistry, 1984

Advisory Editor, Accounts of Chemical Research, 1984-92

Associate Editor, Theoretica Chimica Acta, 1985-97

Advisory Editor, Chemical Reviews, 1986-

Treasurer, International Academy of Quantum Molecular Science, 1988-97

Associate Editor, Advances in Quantum Chemistry, Academic Press, 1990-

Associate Editor, Journal of Chemical Physics, 1998-

Member, Rose-Hulman Board of Advisors for Chemistry, 2000-02

Membership in Societies

(a) Professional
Fellow, American Physical Society

Member, American Chemical Society

Fellow, American Assoc. for Adv. Science

Fellow, Indiana Academy of Science

(b) Honorary
Tau Beta Pi, elected 1957

Phi Lambda Upsilon, elected 1962

Sigma Xi, elected 1962

International Academy of Quantum Molecular Science, elected1981

United States National Academy of Science, elected 1987

Fellow, The American Academy of Arts and Sciences, elected 1996

Site Map | Contact Us