PubMed

Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets.

Hill JG, Peterson KA, Knizia G, Werner HJ.

J Chem Phys. 2009 Nov 21;131(19):194105.PMID: 19929044 [PubMed - in process]

Energy-consistent pseudopotentials for the 5d elements--benchmark calculations for oxides, nitrides, and Pt(2).

Spohn B, Goll E, Stoll H, Figgen D, Peterson KA.

J Phys Chem A. 2009 Nov 12;113(45):12478-84.PMID: 19888774 [PubMed - in process]Related articles

On the ionization energy of HfO.

Stoll H, Peterson KA, Merritt JM, Heaven MC.

J Phys Chem A. 2009 Nov 12;113(45):12353-5.PMID: 19888771 [PubMed - in process]Related articles

Rizatriptan induced acute on top of chronic ischemic colitis.

Alkhatib AA, Gangotena F, Peterson KA.

Am J Gastroenterol. 2009 Oct;104(10):2643-4. No abstract available. PMID: 19806107 [PubMed - indexed for MEDLINE]Related articles

Heats of formation of the H1,2OmSn (m, n = 0-3) molecules from electronic structure calculations.

Grant DJ, Dixon DA, Francisco JS, Feller D, Peterson KA.

J Phys Chem A. 2009 Oct 22;113(42):11343-53.PMID: 19780577 [PubMed - in process]Related articles

Treatment of monozygotic twins with obsessive compulsive disorder using cognitive therapy and exposure with ritual prevention.

Twohig MP, Whittal ML, Peterson KA.

Behav Cogn Psychother. 2009 Jul;37(4):475-80. Epub 2009 Jun 29.PMID: 19563690 [PubMed - in process]Related articles

Comparison of Esomeprazole to Aerosolized, Swallowed Fluticasone for Eosinophilic Esophagitis.

Peterson KA, Thomas KL, Hilden K, Emerson LL, Wills JC, Fang JC.

Dig Dis Sci. 2009 Jun 18. [Epub ahead of print]PMID: 19533356 [PubMed - as supplied by publisher]Related articles

Accurate thermochemistry for transition metal oxide clusters.

Li S, Hennigan JM, Dixon DA, Peterson KA.

J Phys Chem A. 2009 Jul 9;113(27):7861-77.PMID: 19518063 [PubMed]Related articles

Cytomegalovirus clostridium colitis disease in an immunocompetent patient.

Alkhatib AA, Tietze CC, Peterson KA, Go MF.

South Med J. 2009 Jul;102(7):775-6. No abstract available. PMID: 19488008 [PubMed - indexed for MEDLINE]Related articles

Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf-Pt.

Figgen D, Peterson KA, Dolg M, Stoll H.

J Chem Phys. 2009 Apr 28;130(16):164108.PMID: 19405562 [PubMed]Related articles

Does the 4f electron configuration affect molecular geometries? A joint computational, vibrational spectroscopic, and electron diffraction study of dysprosium tribromide.

Groen CP, Varga Z, Kolonits M, Peterson KA, Hargittai M.

Inorg Chem. 2009 May 4;48(9):4143-53.PMID: 19334708 [PubMed]Related articles

Functional representation for the born-oppenheimer diagonal correction and born-huang adiabatic potential energy surfaces for isotopomers of H3.

Mielke SL, Schwenke DW, Schatz GC, Garrett BC, Peterson KA.

J Phys Chem A. 2009 Apr 23;113(16):4479-88.PMID: 19290604 [PubMed]Related articles

Activated notch supports development of cytokine producing NK cells which are hyporesponsive and fail to acquire NK cell effector functions.

Bachanova V, McCullar V, Lenvik T, Wangen R, Peterson KA, Ankarlo DE, Panoskaltsis-Mortari A, Wagner JE, Miller JS.

Biol Blood Marrow Transplant. 2009 Feb;15(2):183-94.PMID: 19167678 [PubMed - indexed for MEDLINE]Related articles

Serotonin Syndrome as a Complication of Fentanyl Sedation During Esophagogastroduodenoscopy.

Alkhatib AA, Peterson KA, Tuteja AK.

Dig Dis Sci. 2009 Jan 23. [Epub ahead of print] No abstract available. PMID: 19165596 [PubMed - as supplied by publisher]Related articles

A survey of factors contributing to accurate theoretical predictions of atomization energies and molecular structures.

Feller D, Peterson KA, Dixon DA.

J Chem Phys. 2008 Nov 28;129(20):204105.PMID: 19045850 [PubMed]Related articles

Optimized auxiliary basis sets for explicitly correlated methods.

Yousaf KE, Peterson KA.

J Chem Phys. 2008 Nov 14;129(18):184108.PMID: 19045387 [PubMed]Related articles

The CCSD(T) complete basis set limit for Ne revisited.

Barnes EC, Petersson GA, Feller D, Peterson KA.

J Chem Phys. 2008 Nov 21;129(19):194115.PMID: 19026053 [PubMed]Related articles

Characterizing primary care research: PCROM versus BRIDG.

Speedie SM, Taweel A, Sim I, Arvanitis TN, Delaney B, Peterson KA.

AMIA Annu Symp Proc. 2008 Nov 6:1145.PMID: 18998919 [PubMed - in process]Related articles

Improving Diabetes Care in Practice: findings from the TRANSLATE trial.

Peterson KA, Radosevich DM, O'Connor PJ, Nyman JA, Prineas RJ, Smith SA, Arneson TJ, Corbett VA, Weinhandl JC, Lange CJ, Hannan PJ.

Diabetes Care. 2008 Dec;31(12):2238-43. Epub 2008 Sep 22.PMID: 18809622 [PubMed - indexed for MEDLINE]Related articlesFree article

ClClO2 is the most stable isomer of Cl2O2. Accurate coupled cluster energetics and electronic spectra of Cl2O2 isomers.

Matus MH, Nguyen MT, Dixon DA, Peterson KA, Francisco JS.

J Phys Chem A. 2008 Oct 9;112(40):9623-7. Epub 2008 Sep 9.PMID: 18778040 [PubMed]Related articles

Challenges and solutions to deployment of internet videoconferencing for researchers and clinicians in primary care medical settings.

Stone J, Peterson KA, Speedie S.

AMIA Annu Symp Proc. 2007 Oct 11:1125.PMID: 18694222 [PubMed - indexed for MEDLINE]Related articles

The role of gastroesophageal reflux in exercise-triggered asthma: a randomized controlled trial.

Peterson KA, Samuelson WM, Ryujin DT, Young DC, Thomas KL, Hilden K, Fang JC.

Dig Dis Sci. 2009 Mar;54(3):564-71. Epub 2008 Aug 8.PMID: 18688720 [PubMed - indexed for MEDLINE]Related articles

The Primary Care Research Object Model (PCROM): a computable information model for practice-based primary care research.

Speedie SM, Taweel A, Sim I, Arvanitis TN, Delaney B, Peterson KA.

J Am Med Inform Assoc. 2008 Sep-Oct;15(5):661-70. Epub 2008 Jun 25.PMID: 18579829 [PubMed - in process]Related articlesFree article

Determination of the rate constant for sulfur recombination by quasiclassical trajectory calculations.

Du S, Francisco JS, Shepler BC, Peterson KA.

J Chem Phys. 2008 May 28;128(20):204306.PMID: 18513018 [PubMed]Related articles

Structure and heats of formation of iodine fluorides and the respective closed-shell ions from CCSD(T) electronic structure calculations and reliable prediction of the steric activity of the free-valence electron pair in ClF6-, BrF6-, and IF6-.

Dixon DA, Grant DJ, Christe KO, Peterson KA.

Inorg Chem. 2008 Jun 16;47(12):5485-94. Epub 2008 May 14.PMID: 18476690 [PubMed]Related articles

Benchmark calculations on the adiabatic ionization potentials of M-NH(3) (M=Na,Al,Ga,In,Cu,Ag).

Li S, Peterson KA, Dixon DA.

J Chem Phys. 2008 Apr 21;128(15):154301.PMID: 18433203 [PubMed]Related articles

Prediction of vibrational frequencies of UO2(2+) at the CCSD(T) level.

Jackson VE, Craciun R, Dixon DA, Peterson KA, de Jong WA.

J Phys Chem A. 2008 May 1;112(17):4095-9. Epub 2008 Mar 19.PMID: 18348547 [PubMed]Related articles

Systematically convergent basis sets for explicitly correlated wavefunctions: the atoms H, He, B-Ne, and Al-Ar.

Peterson KA, Adler TB, Werner HJ.

J Chem Phys. 2008 Feb 28;128(8):084102.PMID: 18315028 [PubMed]Related articles

Energy-consistent relativistic pseudopotentials for the 4d elements: atomic and molecular applications.

Figgen D, Peterson KA, Stoll H.

J Chem Phys. 2008 Jan 21;128(3):034110.PMID: 18205491 [PubMed]Related articles

High-sensitivity detection of CH radicals in flames by use of a diode-laser-based near-ultraviolet light source.

Peterson KA, Oh DB.

Opt Lett. 1999 May 15;24(10):667-9.PMID: 18073817 [PubMed - in process]Related articles

Electric-field-induced second-harmonic generation in GaN devices.

Peterson KA, Kane DJ.

Opt Lett. 2001 Apr 1;26(7):438-40.PMID: 18040346 [PubMed - in process]Related articles

Coupled-cluster study of the electronic structure and energetics of tetrasulfur, S4.

Matus MH, Dixon DA, Peterson KA, Harkless JA, Francisco JS.

J Chem Phys. 2007 Nov 7;127(17):174305.PMID: 17994816 [PubMed]Related articles

Hg+Br-->HgBr recombination and collision-induced dissociation dynamics.

Shepler BC, Balabanov NB, Peterson KA.

J Chem Phys. 2007 Oct 28;127(16):164304.PMID: 17979335 [PubMed]Related articles

Heats of formation of krypton fluorides and stability predictions for KrF4 and KrF6 from high level electronic structure calculations.

Dixon DA, Wang TH, Grant DJ, Peterson KA, Christe KO, Schrobilgen GJ.

Inorg Chem. 2007 Nov 12;46(23):10016-21. Epub 2007 Oct 17.PMID: 17941630 [PubMed]Related articles

Systematically convergent correlation consistent basis sets for molecular core-valence correlation effects: the third-row atoms gallium through krypton.

Deyonker NJ, Peterson KA, Wilson AK.

J Phys Chem A. 2007 Nov 8;111(44):11383-93. Epub 2007 Oct 6.PMID: 17918918 [PubMed]Related articles

Aqueous microsolvation of mercury halide species.

Shepler BC, Wright AD, Balabanov NB, Peterson KA.

J Phys Chem A. 2007 Nov 8;111(44):11342-9. Epub 2007 Jun 27.PMID: 17595065 [PubMed]Related articles

Demonstration of complex-conjugate-resolved harmonic Fourier-domain optical coherence tomography imaging of biological samples.

Vakhtin AB, Peterson KA, Kane DJ.

Appl Opt. 2007 Jun 20;46(18):3870-7.PMID: 17538685 [PubMed - indexed for MEDLINE]Related articles

Quantitative computational thermochemistry of transition metal species.

Deyonker NJ, Peterson KA, Steyl G, Wilson AK, Cundari TR.

J Phys Chem A. 2007 Nov 8;111(44):11269-77. Epub 2007 May 15.PMID: 17500547 [PubMed - indexed for MEDLINE]Related articles

Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y-Pd.

Peterson KA, Figgen D, Dolg M, Stoll H.

J Chem Phys. 2007 Mar 28;126(12):124101.PMID: 17411102 [PubMed]Related articles

The nature of halogen...halide synthons: theoretical and crystallographic studies.

Awwadi FF, Willett RD, Peterson KA, Twamley B.

J Phys Chem A. 2007 Mar 29;111(12):2319-28. Epub 2007 Mar 8.PMID: 17388325 [PubMed]Related articles

Probing the limits of accuracy in electronic structure calculations: is theory capable of results uniformly better than "chemical accuracy"?

Feller D, Peterson KA.

J Chem Phys. 2007 Mar 21;126(11):114105.PMID: 17381194 [PubMed]Related articles

National Institutes of Health eliminates funding for national architecture linking primary care research.

Peterson KA.

J Am Board Fam Med. 2007 Mar-Apr;20(2):229-31. Review.PMID: 17341760 [PubMed - indexed for MEDLINE]Related articlesFree article

Retrospective analysis of esophageal food impaction: differences in etiology by age and gender.

Byrne KR, Panagiotakis PH, Hilden K, Thomas KL, Peterson KA, Fang JC.

Dig Dis Sci. 2007 Mar;52(3):717-21.PMID: 17253139 [PubMed - indexed for MEDLINE]Related articles

On the spectroscopic and thermochemical properties of ClO, BrO, IO, and their anions.

Peterson KA, Shepler BC, Figgen D, Stoll H.

J Phys Chem A. 2006 Dec 28;110(51):13877-83.PMID: 17181347 [PubMed]Related articles

Chemically accurate thermochemistry of cadmium: An ab initio study of Cd + XY (X = H, O, Cl, Br; Y = Cl, Br).

Shepler BC, Peterson KA.

J Phys Chem A. 2006 Nov 9;110(44):12321-9.PMID: 17078631 [PubMed]Related articles

The nature of halogen...halogen synthons: crystallographic and theoretical studies.

Awwadi FF, Willett RD, Peterson KA, Twamley B.

Chemistry. 2006 Dec 4;12(35):8952-60.PMID: 16972291 [PubMed - indexed for MEDLINE]Related articles

An ab initio study of the low-lying electronic states of S3.

Peterson KA, Lyons JR, Francisco JS.

J Chem Phys. 2006 Aug 28;125(8):084314.PMID: 16965019 [PubMed]Related articles

Basis set limit electronic excitation energies, ionization potentials, and electron affinities for the 3d transition metal atoms: Coupled cluster and multireference methods.

Balabanov NB, Peterson KA.

J Chem Phys. 2006 Aug 21;125(7):074110.PMID: 16942325 [PubMed]Related articles

Ab initio prediction of the potential energy surface and vibration-rotation energy levels of BeH2.

Koput J, Peterson KA.

J Chem Phys. 2006 Jul 28;125(4):44306.PMID: 16942141 [PubMed]Related articles

Accurate global potential energy surface and reaction dynamics for the ground state of HgBr2.

Balabanov NB, Shepler BC, Peterson KA.

J Phys Chem A. 2005 Oct 6;109(39):8765-73.PMID: 16834279 [PubMed]Related articles