186 Publications (Page 7 of 8)
1985
Theoretical investigations of the electronic states of porphyrins. IV. Low?lying electronic states of bisammineporphinatoiron(II)
Rawlings, D.C.⋅Gouterman, M.⋅Davidson, E.R. and Feller, D.
International Journal of Quantum Chemistry, vol. 28, pp. 797-822. | Journal Article
1984
Ab Initio Calculation of the Transition State for the Cope Rearrangement
Osamura, Y.⋅Kato, S.⋅Morokuma, K.⋅Feller, D.⋅Davidson, E.R. and Borden, W.T.
Journal of the American Chemical Society, vol. 106, pp. 3362-3363. | Journal Article
 
Allylic Resonance?When Is It Unimportant?
Feller, D.⋅Davidson, E.R. and Borden, W.T.
Journal of the American Chemical Society, vol. 106, pp. 2513-2519. | Journal Article
 
ESR and ab initio theoretical studies of the cation radicals 12C216O2+, 12,13C216O2+, 13C216O2+...
Knight Jr., L.B.⋅Steadman, J.⋅Miller, P.K.⋅Bowman, D.E.⋅Davidson, E.R. and Feller, D.
The Journal of Chemical Physics, vol. 80, pp. 4593-4604. | Journal Article
 
Experimental Evidence for a C2v (2B1) Ground-State Structure of the Methane Cation Radical: ESR and ah Initio CI Investigations of CH4+ and CD2H2+ in Neon Matrices at 4 K
Knight, L.B.⋅Steadman, J.⋅Feller, D. and Davidson, E.R.
Journal of the American Chemical Society, vol. 106, pp. 3700-3701. | Journal Article
 
Molecular properties of water
Davidson, E.R. and Feller, D.
Chemical Physics Letters, vol. 104, pp. 54-58. | Journal Article
 
Why is there a molecular relativistic effect?
Katriel, J.⋅Feller, D. and Davidson, E.R.
International Journal of Quantum Chemistry, vol. 26, pp. 489-495. | Journal Article
1983
Ab-initio calculation of the zero-field splitting parameters of vinylmethylene
Feller, D.⋅Borden, W.T. and Davidson, E.R.
Journal of Physical Chemistry, vol. 87, pp. 4833-4839. | Journal Article
 
Ab Initio CI Calculations of the Energy Difference between Trimethylenemethane and Butadiene
Feller, D.⋅Davidson, E.R. and Borden, W.T.
Israel Journal of Chemistry, vol. 23, pp. 105-108. | Journal Article
 
Ab initio configuration interaction calculations of the hyperfine structure in small radicals
Feller, D. and Davidson, E.R.
The Journal of Chemical Physics, vol. 80, pp. 1006-1017. | Journal Article
 
Ab Initio Study of m-Benzoquinodimethane
Hato, S.⋅Morokuma, K.⋅Feller, D.⋅Davidson, E.R. and Borden, W.T.
Journal of the American Chemical Society, vol. 105, pp. 1791-1795. | Journal Article
 
A multiconfigurational self-consistent field study of the D2h dissociation of excited-state ethylene
Feller, D. and Davidson, E.R.
Journal of Physical Chemistry, vol. 87, pp. 2721-2722. | Journal Article
 
Can any information about reaction paths be obtained from the reduced mass?
Daasch, W.R.⋅Werden, S.⋅Feller, D. and Davidson, E.R.
Journal of Molecular Structure: THEOCHEM, vol. 103, pp. 177-181. | Journal Article
 
MCSCF/CI Investigation of the Low-Lying Potential Energy Surfaces of the Formyloxyl Radical, HCO2
Feller, D.⋅Huyser, E.S. and Borden, W.T.
Journal of the American Chemical Society, vol. 105, pp. 1459-1466. | Journal Article
 
When Is Allylic Resonance Unimportant?
Feller, D.⋅Davidson, E.R. and Borden, W.T.
Journal of the American Chemical Society, vol. 105, pp. 3347-3348. | Journal Article
1982
Ab initio calculation of the properties and the geometry of the lowest triplet state of pyrazine
Ellenbogen, J.C.⋅Feller, D. and Davidson, E.R.
Journal of Physical Chemistry, vol. 86, pp. 1583-1588. | Journal Article
 
Ab Initio Calculations of the Relative Energies of Triplet 2,4-Dimethylenecyclobutane-1,3-diyl and Singlet 2,4-Dimethylenebicyclo[1.1.0]butane
Feller, D.⋅Davidson, E.R. and Borden, W.T.
Journal of the American Chemical Society, vol. 104, pp. 1216-1218. | Journal Article
 
A theoretical determination of the electron affinity of methylene
Feller, D.⋅McMurchie, L.E.⋅Borden, W.T. and Davidson, E.R.
The Journal of Chemical Physics, vol. 77, pp. 6134-6143. | Journal Article
 
A Theoretical Study of the Acetaldehyde-Derived Radical
Huyser, E.S.⋅Feller, D.⋅Borden, W.T. and Davidson, E.R.
Journal of the American Chemical Society, vol. 104, pp. 2956-2959. | Journal Article
 
Concerted Dihydrogen Exchange between Ethane and Ethylene. SCF and FORS Calculations of the Barrier
Feller, D.F.⋅Schmidt, M.W. and Ruedenberg, K.
Journal of the American Chemical Society, vol. 104, pp. 960-967. | Journal Article
 
Potential Surface for the Methylenecyclopropane Rearrangement
Feller, D.⋅Tanaka, K.⋅Davidson, E.R. and Borden, W.T.
Journal of the American Chemical Society, vol. 104, pp. 967-972. | Journal Article
 
RHF and two-configuration SCF calculations are inappropriate for conjugated diradicals
Borden, W.T.⋅Davidson, E.R. and Feller, D.
Tetrahedron, vol. 38, pp. 737-739. | Journal Article
1981
An approximation to frozen natural orbitals through the use of the Hartree-Fock exchange potential
Feller, D. and Davidson, E.R.
The Journal of Chemical Physics, vol. 74, pp. 3977-3979. | Journal Article
 
Calculation of zero field splitting parameters for trimethylenemethane
Feller, D.⋅Borden, W.T. and Davidson, E.R.
The Journal of Chemical Physics, vol. 74, pp. 2256-2259. | Journal Article
 
Theoretical Study of Concerted vs. Stepwise Fragmentation of 2-Carbena-1,3-dioxolane
Feller, D.⋅Davidson, E.R. and Borden, W.T.
Journal of the American Chemical Society, vol. 103, pp. 2558-2560. | Journal Article