| Systematically convergent basis sets with relativistic pseudopotentials. II. Small-core pseudopotentials and correlation consistent basis sets for the post-d group 16 … KA Peterson, D Figgen, E Goll, H Stoll, M Dolg The Journal of chemical physics 119 (21), 11113-11123, 2003 | 2340 | 2003 |
| Benchmark calculations with correlated molecular wave functions. IV. The classical barrier height of the H+H2→H2+H reaction KA Peterson, DE Woon, TH Dunning Jr The Journal of chemical physics 100 (10), 7410-7415, 1994 | 2047 | 1994 |
| Accurate correlation consistent basis sets for molecular core–valence correlation effects: The second row atoms Al–Ar, and the first row atoms B–Ne revisited KA Peterson, TH Dunning Jr The Journal of chemical physics 117 (23), 10548-10560, 2002 | 1980 | 2002 |
| A comparison of the efficiency and accuracy of the quadratic configuration interaction (QCISD), coupled cluster (CCSD), and Brueckner coupled cluster (BCCD) methods C Hampel, KA Peterson, HJ Werner Chemical physics letters 190 (1-2), 1-12, 1992 | 1833 | 1992 |
| Gaussian basis sets for use in correlated molecular calculations. X. The atoms aluminum through argon revisited TH Dunning Jr, KA Peterson, AK Wilson The Journal of Chemical Physics 114 (21), 9244-9253, 2001 | 1775 | 2001 |
| Gaussian basis sets for use in correlated molecular calculations. IX. The atoms gallium through krypton AK Wilson, DE Woon, KA Peterson, TH Dunning The Journal of chemical physics 110 (16), 7667-7676, 1999 | 1600 | 1999 |
| Systematically convergent basis sets for transition metals. I. All-electron correlation consistent basis sets for the 3d elements Sc–Zn NB Balabanov, KA Peterson The Journal of chemical physics 123 (6), 2005 | 1517 | 2005 |
| Systematically convergent basis sets for explicitly correlated wavefunctions: The atoms H, He, B–Ne, and Al–Ar KA Peterson, TB Adler, HJ Werner The Journal of chemical physics 128 (8), 2008 | 1341 | 2008 |
| Systematically convergent basis sets for transition metals. II. Pseudopotential-based correlation consistent basis sets for the group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) elements KA Peterson, C Puzzarini Theoretical Chemistry Accounts 114, 283-296, 2005 | 1242 | 2005 |
| Systematically convergent basis sets with relativistic pseudopotentials. I. Correlation consistent basis sets for the post-d group 13–15 elements KA Peterson The Journal of chemical physics 119 (21), 11099-11112, 2003 | 1052 | 2003 |
| Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y–Pd KA Peterson, D Figgen, M Dolg, H Stoll The Journal of chemical physics 126 (12), 2007 | 996 | 2007 |
| The Molpro quantum chemistry package HJ Werner, PJ Knowles, FR Manby, JA Black, K Doll, A Heßelmann, ... The Journal of chemical physics 152 (14), 2020 | 935 | 2020 |
| On the spectroscopic and thermochemical properties of ClO, BrO, IO, and their anions KA Peterson, BC Shepler, D Figgen, H Stoll The Journal of Physical Chemistry A 110 (51), 13877-13883, 2006 | 914 | 2006 |
| Quantum chemistry JP Lowe, K Peterson Elsevier, 2011 | 781 | 2011 |
| Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf–Pt D Figgen, KA Peterson, M Dolg, H Stoll The Journal of chemical physics 130 (16), 2009 | 749 | 2009 |
| Gaussian basis sets for use in correlated molecular calculations. VII. Valence, core-valence, and scalar relativistic basis sets for Li, Be, Na, and Mg BP Prascher, DE Woon, KA Peterson, TH Dunning, AK Wilson Theoretical Chemistry Accounts 128, 69-82, 2011 | 708 | 2011 |
| Optimized auxiliary basis sets for explicitly correlated methods KE Yousaf, KA Peterson The Journal of chemical physics 129 (18), 2008 | 548 | 2008 |
| 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 | 510 | 2012 |
| The nature of halogen⋅⋅⋅ halogen synthons: Crystallographic and theoretical studies FF Awwadi, RD Willett, KA Peterson, B Twamley Chemistry–A European Journal 12 (35), 8952-8960, 2006 | 480 | 2006 |
David DixonThe University of Alabamaایمیل تأیید شده در ua.edu
