| The role of databases in support of computational chemistry calculations D Feller Journal of computational chemistry 17 (13), 1571-1586, 1996 | 3064 | 1996 |
| Application of systematic sequences of wave functions to the water dimer D Feller The Journal of chemical physics 96 (8), 6104-6114, 1992 | 1367 | 1992 |
| Basis set selection for molecular calculations ER Davidson, D Feller Chemical Reviews 86 (4), 681-696, 1986 | 1265 | 1986 |
| The use of systematic sequences of wave functions for estimating the complete basis set, full configuration interaction limit in water D Feller The Journal of chemical physics 98 (9), 7059-7071, 1993 | 737 | 1993 |
| Hydrogen bond energy of the water dimer MW Feyereisen, D Feller, DA Dixon The Journal of Physical Chemistry 100 (8), 2993-2997, 1996 | 577 | 1996 |
| On the enthalpy of formation of hydroxyl radical and gas-phase bond dissociation energies of water and hydroxyl B Ruscic, AF Wagner, LB Harding, RL Asher, D Feller, DA Dixon, ... The Journal of Physical Chemistry A 106 (11), 2727-2747, 2002 | 537 | 2002 |
| Chemical accuracy in ab initio thermochemistry and spectroscopy: current strategies and future challenges KA Peterson, D Feller, DA Dixon Theoretical Chemistry Accounts 131, 1-20, 2012 | 509 | 2012 |
| An ab initio investigation of the structure and alkali metal cation selectivity of 18-crown-6 ED Glendening, D Feller, MA Thompson Journal of the American Chemical Society 116 (23), 10657-10669, 1994 | 436 | 1994 |
| A survey of factors contributing to accurate theoretical predictions of atomization energies and molecular structures D Feller, KA Peterson, DA Dixon The Journal of chemical physics 129 (20), 2008 | 413 | 2008 |
| On the effectiveness of CCSD (T) complete basis set extrapolations for atomization energies D Feller, KA Peterson, J Grant Hill The Journal of chemical physics 135 (4), 2011 | 322 | 2011 |
| An examination of intrinsic errors in electronic structure methods using the Environmental Molecular Sciences Laboratory computational results database and the Gaussian-2 set D Feller, KA Peterson The Journal of chemical physics 108 (1), 154-176, 1998 | 317 | 1998 |
| Re-examination of atomization energies for the Gaussian-2 set of molecules D Feller, KA Peterson The Journal of chemical physics 110 (17), 8384-8396, 1999 | 314 | 1999 |
| Cation-water interactions: The M+ (H2O) n clusters for alkali metals, M= Li, Na, K, Rb, and Cs ED Glendening, D Feller The Journal of Physical Chemistry 99 (10), 3060-3067, 1995 | 313 | 1995 |
| Extended benchmark studies of coupled cluster theory through triple excitations D Feller, DA Dixon The Journal of Chemical Physics 115 (8), 3484-3496, 2001 | 311 | 2001 |
| An extended basis set ab initio study of alkali metal cation–water clusters D Feller, ED Glendening, DE Woon, MW Feyereisen The Journal of chemical physics 103 (9), 3526-3542, 1995 | 288 | 1995 |
| One‐electron properties of several small molecules using near Hartree–Fock limit basis sets D Feller, CM Boyle, ER Davidson The Journal of chemical physics 86 (6), 3424-3440, 1987 | 271 | 1987 |
| The nature of K+/crown ether interactions: A hybrid quantum mechanical-molecular mechanical study MA Thompson, ED Glendening, D Feller The Journal of Physical Chemistry 98 (41), 10465-10476, 1994 | 242 | 1994 |
| Sources of error in electronic structure calculations on small chemical systems D Feller, KA Peterson, TD Crawford The Journal of chemical physics 124 (5), 2006 | 240 | 2006 |
| Performance of coupled cluster theory in thermochemical calculations of small halogenated compounds D Feller, KA Peterson, WA De Jong, DA Dixon The Journal of chemical physics 118 (8), 3510-3522, 2003 | 232 | 2003 |
| Electron momentum spectroscopy of the valence orbitals of H2O and D2O: Quantitative comparisons using Hartree—Fock limit and correlated wavefunctions AO Bawagan, CE Brion, ER Davidson, D Feller Chemical physics 113 (1), 19-42, 1987 | 218 | 1987 |
Kirk A PetersonProfessor of Chemistry, Washington State UniversityVerified email at wsu.edu
