186 Publications (Page 6 of 8)
1990
Ab initio calculations of the 13C magnetic hyperfine parameters in C+2 using numerical and Gaussian basis set methods
Beck, S.N.⋅McCullough Jr., E.A. and Feller, D.
Chemical Physics Letters, vol. 175, pp. 629-632. | Journal Article
 
An ab initio study of the magnetic hyperfine properties of F 2-(2?u+)
Feller, D.
The Journal of Chemical Physics, vol. 93, pp. 579-589. | Journal Article
 
Configuration interaction calculations on the propane radical cation, C3H8+
Lunell, S.⋅Feller, D. and Davidson, E.R.
Theoretica Chimica Acta, vol. 77, pp. 111-122. | Journal Article
 
Hartree-Fock limit and configuration interaction calculations of the ion-molecule overlap amplitude for hydrogen fluoride: Comparison with EMS experiments
Davidson, E.R.⋅Feller, D.⋅Boyle, C.M.⋅Adamowicz, L.⋅Clark, S.A.C. and Brion, C.E.
Chemical Physics, vol. 147, pp. 45-50. | Journal Article
1989
Electron spin resonance investigations of 11B12C, 11B13C, and 10B12C in neon, argon, and krypton matrices at 4 K: Comparison with theoretical results
Knight Jr., L.B.⋅Cobranchi, S.T.⋅Petty, J.T.⋅Earl, E.⋅Feller, D. and Davidson, E.R.
The Journal of Chemical Physics, vol. 90, pp. 690-699. | Journal Article
 
Neon matrix ESR and theoretical investigations of 10,11BH 2,12,13CH2-, and 12,13CH2+
Knight Jr., L.B.⋅Winiski, M.⋅Miller, P.⋅Arrington, C.A. and Feller, D.
The Journal of Chemical Physics, vol. 91, pp. 4468-4476. | Journal Article
 
The electron affinity of oxygen: A systematic configuration interaction approach
Feller, D. and Davidson, E.R.
The Journal of Chemical Physics, vol. 90, pp. 1024-1030. | Journal Article
1988
A multireference CI determination of the isotropic hyperfine constants for first row atoms B-F
Feller, D. and Davidson, E.R.
The Journal of Chemical Physics, vol. 88, pp. 7580-7587. | Journal Article
 
The generation of 12C31P and 13C 31P by reactive laser vaporization for rare gas matrix electron spin resonance studies: Comparison with ab initio theoretical calculations
Knight Jr., L.B.⋅Petty, J.T.⋅Cobranchi, S.T.⋅Feller, D. and Davidson, E.R.
The Journal of Chemical Physics, vol. 88, pp. 3441-3450. | Journal Article
1987
Ab Initio Studies of [1. 1.1]- and [2.2.2]Propellane
Feller, D. and Davidson, E.R.
Journal of the American Chemical Society, vol. 109, pp. 4133-4139. | Journal Article
 
CI effects on one-electron properties: The case of the electric quadrupole moment of OCS
De Brouckere, G.⋅Feller, D. and Berthier, G.
Journal of Physics B: Atomic and Molecular Physics, vol. 20, pp. 5325-5334. | Journal Article
 
Electron momentum spectroscopy of the valence orbitals of H2O and D2O: Quantitative comparisons using Hartree-Fock limit and correlated wavefunctions
Bawagan, A.O.⋅Brion, C.E.⋅Davidson, E.R. and Feller, D.
Chemical Physics, vol. 113, pp. 19-42. | Journal Article
 
ESR and ab initio theoretical studies of the cation radicals 14N4+ and 15N4+: The trapping of ion-neutral reaction products in neon matrices at 4 K
Knight Jr., L.B.⋅Johannessen, K.D.⋅Cobranchi, D.C.⋅Earl, E.A.⋅Feller, D. and Davidson, E.R.
The Journal of Chemical Physics, vol. 87, pp. 885-897. | Journal Article
 
Laser Sputtering Generation of B2 for ESR Matrix Isolation Studies: Comparison with ab Initio CI Theoretical Calculations
Knight, L.B.⋅Gregory, B.W.⋅Cobranchi, S.T.⋅Feller, D. and Davidson, E.R.
Journal of the American Chemical Society, vol. 109, pp. 3521-3525. | Journal Article
 
One-electron properties of several small molecules using near Hartree-Fock limit basis sets
Feller, D.⋅Boyle, C.M. and Davidson, E.R.
The Journal of Chemical Physics, vol. 86, pp. 3424-3440. | Journal Article
1986
Basis Set Selection for Molecular Calculations
Davidson, E.R. and Feller, D.
Chemical Reviews, vol. 86, pp. 681-696. | Journal Article
 
Neon Matrix ESR and CI Theoretical Investigation of A1F+; Photoionization of A1F from Thermal and Laser Sputtering Generation Methods
Knight, L.B.⋅Earl, E.⋅Ligon, A.R.⋅Cobranchi, D.P.⋅Woodward, J.R.⋅Bostick, J.M.⋅Davidson, E.R. and Feller, D.
Journal of the American Chemical Society, vol. 108, pp. 5065-5071. | Journal Article
 
Neon matrix ESR and Cl theoretical investigation of 10BF + and 11BF+: Photoionization of BF from reactive laser sputtering and high temperature sources
Knight Jr., L.B.⋅Ligon, A.⋅Cobranchi, S.T.⋅Earl, E.⋅Feller, D. and Davidson, E.R.
The Journal of Chemical Physics, vol. 85, pp. 5437-5445. | Journal Article
1985
Ab Initio Calculations on the Diphosphine Radical Cation (P2H4+.)
Feller, D.⋅Davidson, E.R. and Borden, W.T.
Journal of the American Chemical Society, vol. 107, pp. 2596-2597. | Journal Article
 
Ab initio multireference Cl determinations of the electron affinity of carbon and oxygen
Feller, D. and Davidson, E.R.
The Journal of Chemical Physics, vol. 82, pp. 4135-4141. | Journal Article
 
Difficulties in ab initio CI calculations of the hyperfine structure of small radicals
Feller, D. and Davidson, E.R.
Theoretica Chimica Acta, vol. 68, pp. 57-67. | Journal Article
 
Some Aspects of the Triplet Di-?-Methane Rearrangement: Comparison of the Ring Opening of Cyclopropyldicarbinyl and Cyclopropylcarbinyl
Quenemoen, K.⋅Borden, W.T.⋅Davidson, E.R. and Feller, D.
Journal of the American Chemical Society, vol. 107, pp. 5054-5059. | Journal Article
 
The Generation and Trapping of the High-Temperature Cation Radicals 28SiO+ and 29SiO+ in Neon Matrices at 4 K; An ESR and ab Initio Cl Theoretical Investigation
Knight, L.B.⋅Ligon, A.⋅Woodward, R.W.⋅Feller, D. and Davidson, E.R.
Journal of the American Chemical Society, vol. 107, pp. 2857-2864. | Journal Article
 
Theoretical investigations of Fe porphyrins. V. Low?lying electronic states of bisammineporphinatoiron(III)
Rawlings, D.C.⋅Gouterman, M.⋅Davidson, E.R. and Feller, D.
International Journal of Quantum Chemistry, vol. 28, pp. 823-842. | Journal Article
 
Theoretical investigations of the electronic states of porphyrins. III. Low?lying electronic states of porphinatoiron(II)
Rawlings, D.C.⋅Gouterman, M.⋅Davidson, E.R. and Feller, D.
International Journal of Quantum Chemistry, vol. 28, pp. 773-796. | Journal Article