Kirk A Peterson

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David DixonThe University of AlabamaAdresă de e-mail confirmată pe ua.edu
Angela K. WilsonJohn A. Hannah Distinguished Professor of Chemistry, Michigan State UniversityAdresă de e-mail confirmată pe msu.edu
Grant HillUniversity of SheffieldAdresă de e-mail confirmată pe sheffield.ac.uk
Branko RuscicDistinguished Fellow, Argonne National Laboratory and Senior Fellow, The University of ChicagoAdresă de e-mail confirmată pe anl.gov
David H BrossArgonne National LaboratoryAdresă de e-mail confirmată pe anl.gov
Joel BowmanProfessor of Chemistry, Emory UniversityAdresă de e-mail confirmată pe emory.edu
Michael DolgTheoretical Chemistry, Beijing Normal University/University of CologneAdresă de e-mail confirmată pe uni-koeln.de
Cristina PuzzariniUniversity of BolognaAdresă de e-mail confirmată pe unibo.it
Bert de JongLawrence Berkeley National LaboratoryAdresă de e-mail confirmată pe lbl.gov
Henry F. Schaefer IIIProfessor of Chemistry, University of GeorgiaAdresă de e-mail confirmată pe uga.edu
Tanja van MourikReader, School of Chemistry, University of St AndrewsAdresă de e-mail confirmată pe st-andrews.ac.uk
Peter KnowlesProfessor of Theoretical Chemistry, Cardiff UniversityAdresă de e-mail confirmată pe Cardiff.ac.uk
Michael HeavenProfessor of Chemistry, Emory UniversityAdresă de e-mail confirmată pe emory.edu
Jan M.L. MartinWeizmann OR NASA OR Texas OR Antwerp OR JerusalemAdresă de e-mail confirmată pe weizmann.ac.il
T. Daniel CrawfordProfessor of Chemistry, Virginia TechAdresă de e-mail confirmată pe vt.edu
Peter SchwerdtfegerDist. Professor, Theoretical Chemistry and Physics, NZIAS, Massey University, Auckland, New ZealandAdresă de e-mail confirmată pe massey.ac.nz
Gerald KniziaAssistant Professor, Pennsylvania State UniversityAdresă de e-mail confirmată pe psu.edu

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Kirk A Peterson

Professor of Chemistry, Washington State University

Adresă de e-mail confirmată pe wsu.edu

Computational quantum chemistry Gaussian basis sets ab initio thermochemistry & spectroscopy


Titlu Sortați după descrierea bibliografică Sortați după an Sortați după titlu	Citat de Citat de	Anul
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	2344	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	1985	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	1832	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	1602	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	1518	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	1343	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	1243	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	1054	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	939	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	916	2006
Quantum chemistry JP Lowe, K Peterson Elsevier, 2011	782	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	752	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	710	2011
Optimized auxiliary basis sets for explicitly correlated methods KE Yousaf, KA Peterson The Journal of chemical physics 129 (18), 2008	549	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	509	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

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