186 Publications (Page 4 of 8)
1999
Climbing mount PSI: The level of theory needed to obtain 1 KCAL:/MOL accuracy in thermochemical properties
Feller, D.
(pp. 428-430)
 
Computational chemistry and process design
Dixon, D.A. and Feller, D.
Chemical Engineering Science, vol. 54, pp. 1929-1939. | Journal Article
 
Heats of Formation of Simple Perfluorinated Carbon Compounds
Dixon, D.A.⋅Feller, D. and Sandrone, G.
Journal of Physical Chemistry A, vol. 103, pp. 4744-4751. | Journal Article
 
Re-examination of atomization energies for the Gaussian-2 set of molecules
Feller, D.
Journal of Chemical Physics, vol. 110, pp. 8384-8396. | Journal Article
 
Strength of the Benzene-water hydrogen bond
Feller, D.
Journal of Physical Chemistry A, vol. 103, pp. 7558-7561. | Journal Article
 
Structures and binding enthalpies of M+(H2O)n clusters, M=Cu, Ag, Au
Feller, D.⋅Glendening, E.D. and De Jong, W.A.
Journal of Chemical Physics, vol. 110, pp. 1475-1491. | Journal Article
 
Theoretical Study of the Heats of Formation of Small Silicon-Containing Compounds
Feller, D. and Dixon, D.A.
Journal of Physical Chemistry A, vol. 103, pp. 6413-6419. | Journal Article
1998
An examination of intrinsic errors in electronic structure methods using the Environmental Molecular Sciences Laboratory computational results database and the Gaussian-2 set
Feller, D. and Peterson, K.A.
Journal of Chemical Physics, vol. 108, pp. 154-176. | Journal Article
 
Configuration interaction calculations on the A 2?i state of CP and the A 2?i-X 2?+ transition bands. Miscellaneous properties
De Brouckère, G. and Feller, D.
Journal of Physics B: Atomic, Molecular and Optical Physics, vol. 31, pp. 5053-5075. | Journal Article
 
Heats of formation of CF2, FCO, and CF2O
Dixon, D.A. and Feller, D.
Journal of Physical Chemistry A, vol. 102, pp. 8209-8216. | Journal Article
 
Heats of formation of simple boron compounds
Feller, D.⋅Dixon, D.A. and Peterson, K.A.
Journal of Physical Chemistry A, vol. 102, pp. 7053-7059. | Journal Article
 
Theoretical study of cation/ether complexes: Alkali metal cations with 1,2-dimethoxyethane and 12-crown-4
Hill, S.E.⋅Feller, D. and Glendening, E.D.
Journal of Physical Chemistry A, vol. 102, pp. 3813-3819. | Journal Article
1997
Ab initio study of M+:18-crown-6 microsolvation
Feller, D.
Journal of Physical Chemistry A, vol. 101, pp. 2723-2731. | Journal Article
 
Accurate calculations of the electron affinity and ionization potential of the methyl radical
Dixon, D.A.⋅Feller, D. and Peterson, K.A.
Journal of Physical Chemistry A, vol. 101, pp. 9405-9409. | Journal Article
 
A theoretical case study of substituent effects and microsolvation on the binding specificity of crown ethers
Feller, D.⋅Thompson, M.A. and Kendall, R.A.
Journal of Physical Chemistry A, vol. 101, pp. 7292-7298. | Journal Article
 
Hydrogen fluoride: A critical comparison of theoretical and experimental results
Feller, D. and Peterson, K.A.
Journal of Molecular Structure: THEOCHEM, vol. 400, pp. 69-92. | Journal Article
 
Improved estimates of the total correlation energy in the ground state of the water molecule
Lüchow, A.⋅Anderson, J.B. and Feller, D.
Journal of Chemical Physics, vol. 106, pp. 7706-7708. | Journal Article
 
Theoretical study of cation/ether complexes: The alkali metals and dimethyl ether
Hill, S.E.⋅Glendening, E.D. and Feller, D.
Journal of Physical Chemistry A, vol. 101, pp. 6125-6131. | Journal Article
1996
An ab initio investigation of the structure and alkaline earth divalent cation selectivity of 18-crown-6
Glendening, E.D. and Feller, D.
Journal of the American Chemical Society, vol. 118, pp. 6052-6059. | Journal Article
 
Cation-ether complexes in the gas phase: Bond dissociation energies and equilibrium structures of Li+(1,2-dimethoxyethane)x, x = 1 and 2, and Li+(12-crown-4)
Ray, D.⋅Feller, D.⋅More, M.B.⋅Glendening, E.D. and Armentrout, P.B.
Journal of Physical Chemistry, vol. 100, pp. 16116-16125. | Journal Article
 
Cation-ether complexes in the gas phase: Bond dissociation energies and equilibrium structures of Li+[O(CH3)2]x, x = 1-4
More, M.B.⋅Glendening, E.D.⋅Ray, D.⋅Feller, D. and Armentrout, P.B.
Journal of Physical Chemistry, vol. 100, pp. 1605-1614. | Journal Article
 
Configuration-interaction calculations of miscellaneous properties of the CP and CP- molecules: I. CP (X 2?+) ground state
De Brouckère, G. and Feller, D.
Journal of Physics B: Atomic, Molecular and Optical Physics, vol. 29, pp. 5283-5303. | Journal Article
 
Dication-water interactions: M2+(H2O)n clusters for alkaline earth metals M = Mg, Ca, Sr, Ba, and Ra
Glendening, E.D. and Feller, D.
Journal of Physical Chemistry, vol. 100, pp. 4790-4797. | Journal Article
 
Electron spin resonance rare gas matrix studies of12CO2- , 13CO2-, and C17U2- : Comparison with ab initio calculations
Knight Jr., L.B.⋅Hill, D.⋅Berry, K.⋅Babb, R. and Feller, D.
Journal of Chemical Physics, vol. 105, pp. 5672-5686. | Journal Article
 
Hydrogen bond energy of the water dimer
Feyereisen, M.W.⋅Feller, D. and Dixon, D.A.
Journal of Physical Chemistry, vol. 100, pp. 2993-2997. | Journal Article