Nathan DeYonker - Publications

Affiliations: 
2005-2009 University of North Texas, Denton, TX, United States 
 2009- Chemistry University of Memphis, Memphis, TN, United States 

41 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Agbaglo DA, Cheng Q, Fortenberry RC, Stanton JF, DeYonker NJ. Theoretical Rovibrational Spectroscopy of Magnesium Tricarbide-Multireference Character Thwarts a Full Analysis of All Isomers. The Journal of Physical Chemistry. A. PMID 35758849 DOI: 10.1021/acs.jpca.2c01340  0.625
2020 Fortenberry RC, DeYonker NJ. Rovibrational Quantum Chemical Treatment of Inorganic and Organometallic Astrochemicals. Accounts of Chemical Research. PMID 33356121 DOI: 10.1021/acs.accounts.0c00631  0.6
2020 Burton MA, Cheng Q, Halfen DT, Lane JH, DeYonker NJ, Ziurys LM. The structure of ScC (X̃A): A combined Fourier transform microwave/millimeter-wave spectroscopic and computational study. The Journal of Chemical Physics. 153: 034304. PMID 32716169 DOI: 10.1063/5.0008746  0.342
2019 Cheng Q, DeYonker NJ. Theoretical study of the low-lying electronic states of iron hydride cation. The Journal of Chemical Physics. 150: 234304. PMID 31228893 DOI: 10.1063/1.5096519  0.354
2017 Cheng Q, Fortenberry RC, DeYonker NJ. Towards a quantum chemical protocol for the prediction of rovibrational spectroscopic data for transition metal molecules: Exploration of CuCN, CuOH, and CuCCH. The Journal of Chemical Physics. 147: 234303. PMID 29272934 DOI: 10.1063/1.5006931  0.671
2017 Liang G, DeYonker NJ, Zhao X, Webster CE. Prediction of the reduction potential in transition-metal containing complexes: How expensive? For what accuracy? Journal of Computational Chemistry. PMID 28800152 DOI: 10.1002/Jcc.24894  0.415
2016 Letterman RG, DeYonker NJ, Burkey TJ, Webster CE. Calibrating Reaction Enthalpies: Use of Density Functional Theory and the Correlation Consistent Composite Approach in the Design of Photochromic Materials. The Journal of Physical Chemistry. A. PMID 27936738 DOI: 10.1021/Acs.Jpca.6B09278  0.334
2015 DeYonker NJ. What a difference a decade has not made: the murky electronic structure of iron monocyanide (FeCN) and iron monoisocyanide (FeNC). The Journal of Physical Chemistry. A. 119: 215-23. PMID 25495149 DOI: 10.1021/jp5110906  0.339
2014 DeYonker NJ, Halfen DT, Allen WD, Ziurys LM. The electronic structure of vanadium monochloride cation (VCl(+)): tackling the complexities of transition metal species. The Journal of Chemical Physics. 141: 204302. PMID 25429937 DOI: 10.1063/1.4901239  0.628
2014 Li Z, Yang X, DeYonker NJ, Xu X, Guo Z, Zhao C. Binding energies and interaction origins between nonclassical single-electron hydrogen, sodium and lithium bonds and neutral boron-containing radicals: a theoretical investigation Chinese Science Bulletin. 59: 2597-2607. DOI: 10.1007/S11434-014-0361-Z  0.377
2014 DeYonker NJ, Shah SA. The role of core–valence electron correlation in gallium halides: a comparison of composite methods Theoretical Chemistry Accounts. 133: 1-11. DOI: 10.1007/s00214-014-1518-1  0.414
2013 DeYonker NJ, Peterson KA. Is near-"spectroscopic accuracy" possible for heavy atoms and coupled cluster theory? An investigation of the first ionization potentials of the atoms Ga-Kr. The Journal of Chemical Physics. 138: 164312. PMID 23635143 DOI: 10.1063/1.4801854  0.4
2013 Jorgensen KR, Ramasesh VV, Hannibal S, DeYonker NJ, Wilson AK. Complete basis set limits of local second-order Møller–Plesset perturbation theory Molecular Physics. 111: 1178-1189. DOI: 10.1080/00268976.2013.809803  0.763
2012 Jiang W, DeYonker NJ, Wilson AK. Multireference Character for 3d Transition-Metal-Containing Molecules. Journal of Chemical Theory and Computation. 8: 460-8. PMID 26596596 DOI: 10.1021/Ct2006852  0.78
2012 DeYonker NJ, Allen WD. Taming the low-lying electronic states of FeH. The Journal of Chemical Physics. 137: 234303. PMID 23267482 DOI: 10.1063/1.4767771  0.6
2012 Wilson BR, DeYonker NJ, Wilson AK. Prediction of hydrocarbon enthalpies of formation by various thermochemical schemes. Journal of Computational Chemistry. 33: 2032-42. PMID 22696206 DOI: 10.1002/Jcc.23038  0.766
2012 Nedd SA, DeYonker NJ, Wilson AK, Piecuch P, Gordon MS. Incorporating a completely renormalized coupled cluster approach into a composite method for thermodynamic properties and reaction paths. The Journal of Chemical Physics. 136: 144109. PMID 22502503 DOI: 10.1063/1.3700801  0.573
2012 Jiang W, DeYonker NJ, Determan JJ, Wilson AK. Toward accurate theoretical thermochemistry of first row transition metal complexes. The Journal of Physical Chemistry. A. 116: 870-85. PMID 22107449 DOI: 10.1021/Jp205710E  0.76
2012 Deyonker NJ, Allen WD. Taming the low-lying electronic states of FeH Journal of Chemical Physics. 137. DOI: 10.1063/1.4767771  0.483
2011 Laury ML, DeYonker NJ, Jiang W, Wilson AK. A pseudopotential-based composite method: the relativistic pseudopotential correlation consistent composite approach for molecules containing 4d transition metals (Y-Cd). The Journal of Chemical Physics. 135: 214103. PMID 22149775 DOI: 10.1063/1.3662415  0.763
2011 Gittermann SM, Letterman RG, Jiao T, Leu GL, DeYonker NJ, Webster CE, Burkey TJ. Bond energies, reaction volumes, and kinetics for σ- and π-complexes of MoCO5L. The Journal of Physical Chemistry. A. 115: 9004-13. PMID 21780751 DOI: 10.1021/Jp203915Q  0.309
2011 Williams TG, DeYonker NJ, Ho BS, Wilson AK. The correlation Consistent composite Approach: The spin contamination effect on an MP2-based composite methodology Chemical Physics Letters. 504: 88-94. DOI: 10.1016/J.Cplett.2011.01.020  0.575
2009 DeYonker NJ, Williams TG, Imel AE, Cundari TR, Wilson AK. Accurate thermochemistry for transition metal complexes from first-principles calculations. The Journal of Chemical Physics. 131: 024106. PMID 19603969 DOI: 10.1063/1.3160667  0.658
2009 Gao Y, DeYonker NJ, Garrett EC, Wilson AK, Cundari TR, Marshall P. Enthalpy of formation of the cyclohexadienyl radical and the C-H bond enthalpy of 1,4-cyclohexadiene: an experimental and computational re-evaluation. The Journal of Physical Chemistry. A. 113: 6955-63. PMID 19489549 DOI: 10.1021/Jp901314Y  0.519
2009 Deyonker NJ, Wilson BR, Pierpont AW, Cundari TR, Wilson AK. Towards the intrinsic error of the correlation consistent Composite Approach (ccCA) Molecular Physics. 107: 1107-1121. DOI: 10.1080/00268970902744359  0.786
2008 DeYonker NJ, Mintz B, Cundari TR, Wilson AK. Application of the Correlation Consistent Composite Approach (ccCA) to Third-Row (Ga-Kr) Molecules. Journal of Chemical Theory and Computation. 4: 328-34. PMID 26620665 DOI: 10.1021/Ct7002463  0.784
2008 Williams TG, DeYonker NJ, Wilson AK. Hartree-Fock complete basis set limit properties for transition metal diatomics. The Journal of Chemical Physics. 128: 044101. PMID 18247924 DOI: 10.1063/1.2822907  0.64
2007 Grimes TV, Wilson AK, DeYonker NJ, Cundari TR. Performance of the correlation consistent composite approach for transition states: a comparison to G3B theory. The Journal of Chemical Physics. 127: 154117. PMID 17949142 DOI: 10.1063/1.2790011  0.574
2007 Deyonker NJ, Peterson KA, Wilson AK. Systematically convergent correlation consistent basis sets for molecular core-valence correlation effects: the third-row atoms gallium through krypton. The Journal of Physical Chemistry. A. 111: 11383-93. PMID 17918918 DOI: 10.1021/Jp0747757  0.634
2007 DeYonker NJ, Ho DS, Wilson AK, Cundari TR. Computational s-block thermochemistry with the correlation consistent composite approach. The Journal of Physical Chemistry. A. 111: 10776-80. PMID 17914764 DOI: 10.1021/Jp0736241  0.618
2007 Deyonker NJ, Peterson KA, Steyl G, Wilson AK, Cundari TR. Quantitative computational thermochemistry of transition metal species. The Journal of Physical Chemistry. A. 111: 11269-77. PMID 17500547 DOI: 10.1021/Jp0715023  0.653
2006 DeYonker NJ, Grimes T, Yockel S, Dinescu A, Mintz B, Cundari TR, Wilson AK. The correlation-consistent composite approach: application to the G3/99 test set. The Journal of Chemical Physics. 125: 104111. PMID 16999519 DOI: 10.1063/1.2236116  0.76
2006 Ho DS, DeYonker NJ, Wilson AK, Cundari TR. Accurate enthalpies of formation of alkali and alkaline earth metal oxides and hydroxides: assessment of the correlation consistent composite approach (ccCA). The Journal of Physical Chemistry. A. 110: 9767-70. PMID 16884209 DOI: 10.1021/Jp062624I  0.559
2006 DeYonker NJ, Cundari TR, Wilson AK. The correlation consistent composite approach (ccCA): an alternative to the Gaussian-n methods. The Journal of Chemical Physics. 124: 114104. PMID 16555871 DOI: 10.1063/1.2173988  0.645
2006 Wang S, Paul A, DeYonker NJ, Yamaguchi Y, Schaefer HF. Publisher’s Note: “The ground and two lowest-lying singlet excited electronic states of copper hydroxide (CuOH)” [J. Chem. Phys. 123, 014313 (2005)] The Journal of Chemical Physics. 124: 019901. DOI: 10.1063/1.2150208  0.592
2006 DeYonker NJ, Cundari TR, Wilson AK, Sood CA, Magers DH. Computation of gas-phase enthalpies of formation with chemical accuracy: The curious case of 3-nitroaniline Journal of Molecular Structure: Theochem. 775: 77-80. DOI: 10.1016/J.Theochem.2006.08.018  0.525
2005 Wang S, Paul A, DeYonker NJ, Yamaguchi Y, Schaefer HF. The ground and two lowest-lying singlet excited electronic states of copper hydroxide (CuOH). The Journal of Chemical Physics. 123: 014313. PMID 16035841 DOI: 10.1063/1.1944726  0.613
2005 DeYonker NJ, Li S, Yamaguchi Y, Schaefer HF, Crawford TD, King RA, Peterson KA. Application of equation-of-motion coupled-cluster methods to low-lying singlet and triplet electronic states of HBO and BOH. The Journal of Chemical Physics. 122: 234316. PMID 16008450 DOI: 10.1063/1.1927078  0.545
2005 Kim S, Wheeler SE, Deyonker NJ, Schaefer HF. The extremely flat torsional potential energy surface of oxalyl chloride. The Journal of Chemical Physics. 122: 234313. PMID 16008447 DOI: 10.1063/1.1926271  0.59
2005 Deyonker NJ, Li S, Yamaguchi Y, Schaefer HF, Crawford TD, King RA, Peterson KA. Application of equation-of-motion coupled-cluster methods to low-lying singlet and triplet electronic states of HBO and BOH Journal of Chemical Physics. 122. DOI: 10.1063/1.1927078  0.472
2004 DeYonker NJ, Yamaguchi Y, Allen WD, Pak C, Schaefer HF, Peterson KA. Low-lying electronic states of FeNC and FeCN: a theoretical journey into isomerization and quartet/sextet competition. The Journal of Chemical Physics. 120: 4726-41. PMID 15267333 DOI: 10.1063/1.1636719  0.59
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